USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 LYS NZ :NH3+ -162:sc= -1.93! (180deg=-3.91!) USER MOD Set 1.2: A 81 ASN : amide:sc= -1.92 K(o=-3.8,f=-12!) USER MOD Set 2.1: A 44 THR OG1 : rot 98:sc= 1.48 USER MOD Set 2.2: A 45 GLN : amide:sc= -3.79! K(o=-2.3!,f=-0.28) USER MOD Single : A 1 HIS : no HE2:sc= 0.818 K(o=0.82,f=-3.8!) USER MOD Single : A 1 HIS N :NH3+ -167:sc= -1.31! (180deg=-1.81!) USER MOD Single : A 2 HIS : no HE2:sc= -0.929! C(o=-0.93!,f=-3.8!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.615 X(o=-0.61,f=-0.13) USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= 0.877 (180deg=-1.25) USER MOD Single : A 16 ASN : amide:sc= 1.14 K(o=1.1,f=-0.035) USER MOD Single : A 21 ASN : amide:sc= -0.699 X(o=-0.7,f=-0.33) USER MOD Single : A 24 SER OG : rot 91:sc= 0.884 USER MOD Single : A 27 HIS : no HD1:sc= -2.72 K(o=-2.7,f=-2.1) USER MOD Single : A 31 SER OG : rot -97:sc= 0.957! USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 34 GLN : amide:sc= -1.6! K(o=-1.6!,f=-0.19) USER MOD Single : A 42 SER OG : rot 180:sc= -0.234 USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.0609 (180deg=-0.398) USER MOD Single : A 49 HIS : no HD1:sc= -0.962 K(o=-0.96,f=-0.33) USER MOD Single : A 50 SER OG : rot -107:sc= 1.23 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= 1.65 (180deg=1.29) USER MOD Single : A 70 GLN : amide:sc= 0.659 K(o=0.66,f=-0.78) USER MOD Single : A 71 ASN : amide:sc= -4.68! C(o=-4.7!,f=-12!) USER MOD Single : A 74 GLN : amide:sc= 0.959 K(o=0.96,f=-0.098) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.647 USER MOD Single : A 80 ASN : amide:sc= -0.0944 K(o=-0.094,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 14.276 6.742 -19.165 1.00 11.69 N ATOM 2 CA HIS A 1 14.669 5.737 -20.182 1.00 12.08 C ATOM 3 C HIS A 1 16.172 5.866 -20.432 1.00 12.77 C ATOM 4 O HIS A 1 16.597 6.756 -21.133 1.00 13.07 O ATOM 5 CB HIS A 1 13.882 5.964 -21.477 1.00 12.34 C ATOM 6 CG HIS A 1 12.384 6.176 -21.231 1.00 11.93 C ATOM 7 ND1 HIS A 1 11.730 5.479 -20.338 1.00 11.86 N ATOM 8 CD2 HIS A 1 11.472 7.027 -21.803 1.00 12.00 C ATOM 9 CE1 HIS A 1 10.476 5.863 -20.340 1.00 11.89 C ATOM 10 NE2 HIS A 1 10.324 6.808 -21.234 1.00 12.04 N ATOM 0 H1 HIS A 1 13.318 6.530 -18.820 1.00 11.69 H new ATOM 0 H2 HIS A 1 14.945 6.711 -18.369 1.00 11.69 H new ATOM 0 H3 HIS A 1 14.289 7.691 -19.591 1.00 11.69 H new ATOM 0 HA HIS A 1 14.443 4.732 -19.826 1.00 12.08 H new ATOM 0 HB2 HIS A 1 14.287 6.833 -21.996 1.00 12.34 H new ATOM 0 HB3 HIS A 1 14.020 5.107 -22.136 1.00 12.34 H new ATOM 0 HD1 HIS A 1 12.129 4.756 -19.739 1.00 11.86 H new ATOM 0 HD2 HIS A 1 11.672 7.747 -22.583 1.00 12.00 H new ATOM 0 HE1 HIS A 1 9.696 5.465 -19.708 1.00 11.89 H new ATOM 20 N HIS A 2 16.936 5.051 -19.738 1.00 13.26 N ATOM 21 CA HIS A 2 18.441 5.044 -19.886 1.00 14.27 C ATOM 22 C HIS A 2 19.072 6.152 -19.040 1.00 14.70 C ATOM 23 O HIS A 2 20.095 5.949 -18.417 1.00 15.56 O ATOM 24 CB HIS A 2 18.868 5.228 -21.353 1.00 14.82 C ATOM 25 CG HIS A 2 20.349 4.918 -21.582 1.00 15.75 C ATOM 26 ND1 HIS A 2 21.276 5.465 -20.845 1.00 16.31 N ATOM 27 CD2 HIS A 2 20.992 4.127 -22.497 1.00 16.42 C ATOM 28 CE1 HIS A 2 22.449 5.053 -21.268 1.00 17.27 C ATOM 29 NE2 HIS A 2 22.268 4.238 -22.274 1.00 17.29 N ATOM 0 H HIS A 2 16.578 4.376 -19.062 1.00 13.26 H new ATOM 0 HA HIS A 2 18.791 4.072 -19.539 1.00 14.27 H new ATOM 0 HB2 HIS A 2 18.263 4.579 -21.987 1.00 14.82 H new ATOM 0 HB3 HIS A 2 18.664 6.254 -21.660 1.00 14.82 H new ATOM 0 HD1 HIS A 2 21.116 6.107 -20.068 1.00 16.31 H new ATOM 0 HD2 HIS A 2 20.526 3.523 -23.262 1.00 16.42 H new ATOM 0 HE1 HIS A 2 23.404 5.340 -20.854 1.00 17.27 H new ATOM 37 N SER A 3 18.485 7.314 -19.087 1.00 14.43 N ATOM 38 CA SER A 3 19.013 8.456 -18.278 1.00 15.23 C ATOM 39 C SER A 3 18.059 8.685 -17.104 1.00 14.93 C ATOM 40 O SER A 3 17.798 9.804 -16.697 1.00 15.28 O ATOM 41 CB SER A 3 19.064 9.706 -19.160 1.00 15.65 C ATOM 42 OG SER A 3 19.749 9.270 -20.327 1.00 16.30 O ATOM 0 H SER A 3 17.661 7.526 -19.650 1.00 14.43 H new ATOM 0 HA SER A 3 20.015 8.241 -17.907 1.00 15.23 H new ATOM 0 HB2 SER A 3 18.064 10.070 -19.396 1.00 15.65 H new ATOM 0 HB3 SER A 3 19.593 10.522 -18.667 1.00 15.65 H new ATOM 0 HG SER A 3 19.827 10.016 -20.958 1.00 16.30 H new ATOM 48 N GLY A 4 17.559 7.590 -16.602 1.00 14.56 N ATOM 49 CA GLY A 4 16.606 7.644 -15.461 1.00 14.52 C ATOM 50 C GLY A 4 15.198 7.428 -16.006 1.00 13.33 C ATOM 51 O GLY A 4 14.915 7.814 -17.127 1.00 13.16 O ATOM 0 H GLY A 4 17.773 6.651 -16.938 1.00 14.56 H new ATOM 0 HA2 GLY A 4 16.850 6.878 -14.725 1.00 14.52 H new ATOM 0 HA3 GLY A 4 16.674 8.607 -14.954 1.00 14.52 H new ATOM 55 N GLU A 5 14.343 6.846 -15.216 1.00 12.86 N ATOM 56 CA GLU A 5 12.948 6.609 -15.682 1.00 11.81 C ATOM 57 C GLU A 5 12.051 7.668 -15.059 1.00 11.54 C ATOM 58 O GLU A 5 11.039 7.390 -14.445 1.00 11.29 O ATOM 59 CB GLU A 5 12.513 5.194 -15.274 1.00 11.88 C ATOM 60 CG GLU A 5 13.528 4.168 -15.819 1.00 12.41 C ATOM 61 CD GLU A 5 13.856 4.484 -17.283 1.00 12.41 C ATOM 62 OE1 GLU A 5 12.910 4.583 -18.053 1.00 11.78 O ATOM 63 OE2 GLU A 5 15.029 4.689 -17.559 1.00 13.41 O ATOM 0 H GLU A 5 14.547 6.524 -14.270 1.00 12.86 H new ATOM 0 HA GLU A 5 12.878 6.682 -16.767 1.00 11.81 H new ATOM 0 HB2 GLU A 5 12.452 5.120 -14.188 1.00 11.88 H new ATOM 0 HB3 GLU A 5 11.518 4.981 -15.665 1.00 11.88 H new ATOM 0 HG2 GLU A 5 14.439 4.191 -15.220 1.00 12.41 H new ATOM 0 HG3 GLU A 5 13.119 3.161 -15.738 1.00 12.41 H new ATOM 70 N HIS A 6 12.451 8.886 -15.279 1.00 12.12 N ATOM 71 CA HIS A 6 11.687 10.038 -14.735 1.00 12.39 C ATOM 72 C HIS A 6 10.569 10.374 -15.725 1.00 11.14 C ATOM 73 O HIS A 6 10.440 11.495 -16.171 1.00 11.44 O ATOM 74 CB HIS A 6 12.644 11.233 -14.581 1.00 14.16 C ATOM 75 CG HIS A 6 13.947 10.900 -13.842 1.00 15.59 C ATOM 76 ND1 HIS A 6 14.903 11.781 -13.732 1.00 16.59 N ATOM 77 CD2 HIS A 6 14.390 9.765 -13.211 1.00 16.32 C ATOM 78 CE1 HIS A 6 15.903 11.240 -13.071 1.00 17.81 C ATOM 79 NE2 HIS A 6 15.583 10.011 -12.756 1.00 17.65 N ATOM 0 H HIS A 6 13.281 9.135 -15.817 1.00 12.12 H new ATOM 0 HA HIS A 6 11.255 9.803 -13.762 1.00 12.39 H new ATOM 0 HB2 HIS A 6 12.888 11.619 -15.571 1.00 14.16 H new ATOM 0 HB3 HIS A 6 12.129 12.031 -14.046 1.00 14.16 H new ATOM 0 HD2 HIS A 6 13.847 8.837 -13.111 1.00 16.32 H new ATOM 0 HE1 HIS A 6 16.835 11.729 -12.828 1.00 17.81 H new ATOM 0 HE2 HIS A 6 16.171 9.356 -12.240 1.00 17.65 H new ATOM 87 N PHE A 7 9.802 9.368 -16.053 1.00 10.07 N ATOM 88 CA PHE A 7 8.675 9.546 -17.016 1.00 9.03 C ATOM 89 C PHE A 7 7.482 8.711 -16.532 1.00 7.69 C ATOM 90 O PHE A 7 7.177 7.679 -17.101 1.00 7.59 O ATOM 91 CB PHE A 7 9.138 9.085 -18.409 1.00 9.58 C ATOM 92 CG PHE A 7 8.056 9.398 -19.454 1.00 9.02 C ATOM 93 CD1 PHE A 7 7.790 10.704 -19.827 1.00 9.59 C ATOM 94 CD2 PHE A 7 7.325 8.376 -20.032 1.00 8.61 C ATOM 95 CE1 PHE A 7 6.810 10.981 -20.760 1.00 9.62 C ATOM 96 CE2 PHE A 7 6.346 8.652 -20.963 1.00 8.75 C ATOM 97 CZ PHE A 7 6.088 9.953 -21.327 1.00 9.19 C ATOM 0 H PHE A 7 9.909 8.420 -15.691 1.00 10.07 H new ATOM 0 HA PHE A 7 8.373 10.592 -17.076 1.00 9.03 H new ATOM 0 HB2 PHE A 7 10.069 9.586 -18.676 1.00 9.58 H new ATOM 0 HB3 PHE A 7 9.344 8.015 -18.397 1.00 9.58 H new ATOM 0 HD1 PHE A 7 8.353 11.513 -19.385 1.00 9.59 H new ATOM 0 HD2 PHE A 7 7.523 7.352 -19.751 1.00 8.61 H new ATOM 0 HE1 PHE A 7 6.609 12.003 -21.045 1.00 9.62 H new ATOM 0 HE2 PHE A 7 5.781 7.846 -21.407 1.00 8.75 H new ATOM 0 HZ PHE A 7 5.321 10.169 -22.056 1.00 9.19 H new ATOM 107 N GLU A 8 6.848 9.166 -15.479 1.00 7.13 N ATOM 108 CA GLU A 8 5.680 8.409 -14.926 1.00 6.07 C ATOM 109 C GLU A 8 4.405 9.266 -14.959 1.00 5.25 C ATOM 110 O GLU A 8 4.464 10.478 -15.043 1.00 6.09 O ATOM 111 CB GLU A 8 5.988 8.013 -13.466 1.00 6.83 C ATOM 112 CG GLU A 8 5.831 6.495 -13.271 1.00 6.71 C ATOM 113 CD GLU A 8 4.369 6.086 -13.454 1.00 6.00 C ATOM 114 OE1 GLU A 8 3.987 5.850 -14.585 1.00 5.55 O ATOM 115 OE2 GLU A 8 3.699 6.032 -12.446 1.00 6.76 O ATOM 0 H GLU A 8 7.086 10.023 -14.981 1.00 7.13 H new ATOM 0 HA GLU A 8 5.515 7.521 -15.537 1.00 6.07 H new ATOM 0 HB2 GLU A 8 7.003 8.315 -13.208 1.00 6.83 H new ATOM 0 HB3 GLU A 8 5.317 8.543 -12.791 1.00 6.83 H new ATOM 0 HG2 GLU A 8 6.457 5.963 -13.987 1.00 6.71 H new ATOM 0 HG3 GLU A 8 6.173 6.212 -12.276 1.00 6.71 H new ATOM 122 N GLY A 9 3.284 8.598 -14.877 1.00 4.13 N ATOM 123 CA GLY A 9 1.961 9.296 -14.880 1.00 3.56 C ATOM 124 C GLY A 9 1.149 8.814 -13.673 1.00 3.49 C ATOM 125 O GLY A 9 1.591 8.950 -12.548 1.00 3.93 O ATOM 0 H GLY A 9 3.227 7.582 -14.807 1.00 4.13 H new ATOM 0 HA2 GLY A 9 2.103 10.376 -14.833 1.00 3.56 H new ATOM 0 HA3 GLY A 9 1.424 9.085 -15.805 1.00 3.56 H new ATOM 129 N GLU A 10 -0.011 8.253 -13.931 1.00 3.27 N ATOM 130 CA GLU A 10 -0.877 7.734 -12.823 1.00 3.42 C ATOM 131 C GLU A 10 -1.306 6.302 -13.172 1.00 2.88 C ATOM 132 O GLU A 10 -1.337 5.939 -14.337 1.00 3.34 O ATOM 133 CB GLU A 10 -2.115 8.652 -12.672 1.00 4.25 C ATOM 134 CG GLU A 10 -3.131 8.046 -11.679 1.00 4.78 C ATOM 135 CD GLU A 10 -4.061 9.133 -11.119 1.00 5.38 C ATOM 136 OE1 GLU A 10 -5.080 9.380 -11.741 1.00 5.23 O ATOM 137 OE2 GLU A 10 -3.708 9.661 -10.079 1.00 6.57 O ATOM 0 H GLU A 10 -0.396 8.132 -14.868 1.00 3.27 H new ATOM 0 HA GLU A 10 -0.332 7.727 -11.879 1.00 3.42 H new ATOM 0 HB2 GLU A 10 -1.803 9.637 -12.324 1.00 4.25 H new ATOM 0 HB3 GLU A 10 -2.589 8.793 -13.643 1.00 4.25 H new ATOM 0 HG2 GLU A 10 -3.721 7.278 -12.179 1.00 4.78 H new ATOM 0 HG3 GLU A 10 -2.601 7.558 -10.861 1.00 4.78 H new ATOM 144 N LYS A 11 -1.611 5.520 -12.162 1.00 2.15 N ATOM 145 CA LYS A 11 -2.060 4.107 -12.400 1.00 1.86 C ATOM 146 C LYS A 11 -2.622 3.523 -11.090 1.00 1.55 C ATOM 147 O LYS A 11 -2.493 4.135 -10.041 1.00 1.56 O ATOM 148 CB LYS A 11 -0.890 3.245 -12.925 1.00 1.75 C ATOM 149 CG LYS A 11 0.228 3.090 -11.878 1.00 2.63 C ATOM 150 CD LYS A 11 1.279 2.087 -12.406 1.00 3.04 C ATOM 151 CE LYS A 11 2.276 2.787 -13.347 1.00 3.07 C ATOM 152 NZ LYS A 11 3.491 3.249 -12.608 1.00 4.30 N ATOM 0 H LYS A 11 -1.569 5.799 -11.182 1.00 2.15 H new ATOM 0 HA LYS A 11 -2.843 4.102 -13.158 1.00 1.86 H new ATOM 0 HB2 LYS A 11 -1.263 2.260 -13.205 1.00 1.75 H new ATOM 0 HB3 LYS A 11 -0.481 3.700 -13.827 1.00 1.75 H new ATOM 0 HG2 LYS A 11 0.695 4.055 -11.681 1.00 2.63 H new ATOM 0 HG3 LYS A 11 -0.187 2.738 -10.934 1.00 2.63 H new ATOM 0 HD2 LYS A 11 1.815 1.640 -11.569 1.00 3.04 H new ATOM 0 HD3 LYS A 11 0.780 1.275 -12.936 1.00 3.04 H new ATOM 0 HE2 LYS A 11 2.570 2.102 -14.142 1.00 3.07 H new ATOM 0 HE3 LYS A 11 1.792 3.640 -13.823 1.00 3.07 H new ATOM 0 HZ1 LYS A 11 4.292 3.319 -13.267 1.00 4.30 H new ATOM 0 HZ2 LYS A 11 3.307 4.182 -12.186 1.00 4.30 H new ATOM 0 HZ3 LYS A 11 3.720 2.568 -11.856 1.00 4.30 H new ATOM 166 N VAL A 12 -3.204 2.346 -11.156 1.00 1.45 N ATOM 167 CA VAL A 12 -3.781 1.746 -9.912 1.00 1.24 C ATOM 168 C VAL A 12 -3.010 0.485 -9.507 1.00 1.12 C ATOM 169 O VAL A 12 -2.676 -0.361 -10.333 1.00 1.49 O ATOM 170 CB VAL A 12 -5.257 1.378 -10.151 1.00 1.39 C ATOM 171 CG1 VAL A 12 -5.918 0.970 -8.817 1.00 2.17 C ATOM 172 CG2 VAL A 12 -6.018 2.572 -10.748 1.00 2.33 C ATOM 0 H VAL A 12 -3.303 1.785 -12.002 1.00 1.45 H new ATOM 0 HA VAL A 12 -3.703 2.480 -9.110 1.00 1.24 H new ATOM 0 HB VAL A 12 -5.296 0.544 -10.851 1.00 1.39 H new ATOM 0 HG11 VAL A 12 -6.962 0.711 -8.993 1.00 2.17 H new ATOM 0 HG12 VAL A 12 -5.395 0.109 -8.400 1.00 2.17 H new ATOM 0 HG13 VAL A 12 -5.864 1.802 -8.115 1.00 2.17 H new ATOM 0 HG21 VAL A 12 -7.060 2.295 -10.911 1.00 2.33 H new ATOM 0 HG22 VAL A 12 -5.970 3.415 -10.059 1.00 2.33 H new ATOM 0 HG23 VAL A 12 -5.565 2.854 -11.698 1.00 2.33 H new ATOM 182 N PHE A 13 -2.772 0.401 -8.231 1.00 1.04 N ATOM 183 CA PHE A 13 -2.048 -0.752 -7.656 1.00 1.03 C ATOM 184 C PHE A 13 -2.995 -1.413 -6.668 1.00 0.81 C ATOM 185 O PHE A 13 -4.056 -0.881 -6.374 1.00 1.02 O ATOM 186 CB PHE A 13 -0.813 -0.289 -6.867 1.00 1.38 C ATOM 187 CG PHE A 13 0.189 0.477 -7.744 1.00 1.06 C ATOM 188 CD1 PHE A 13 -0.016 1.811 -8.058 1.00 1.49 C ATOM 189 CD2 PHE A 13 1.365 -0.133 -8.150 1.00 1.22 C ATOM 190 CE1 PHE A 13 0.940 2.524 -8.752 1.00 1.70 C ATOM 191 CE2 PHE A 13 2.321 0.584 -8.843 1.00 1.36 C ATOM 192 CZ PHE A 13 2.109 1.913 -9.139 1.00 1.47 C ATOM 0 H PHE A 13 -3.058 1.104 -7.549 1.00 1.04 H new ATOM 0 HA PHE A 13 -1.728 -1.420 -8.456 1.00 1.03 H new ATOM 0 HB2 PHE A 13 -1.130 0.348 -6.042 1.00 1.38 H new ATOM 0 HB3 PHE A 13 -0.319 -1.156 -6.429 1.00 1.38 H new ATOM 0 HD1 PHE A 13 -0.932 2.297 -7.757 1.00 1.49 H new ATOM 0 HD2 PHE A 13 1.535 -1.175 -7.923 1.00 1.22 H new ATOM 0 HE1 PHE A 13 0.770 3.563 -8.991 1.00 1.70 H new ATOM 0 HE2 PHE A 13 3.236 0.102 -9.153 1.00 1.36 H new ATOM 0 HZ PHE A 13 2.861 2.474 -9.675 1.00 1.47 H new ATOM 202 N ARG A 14 -2.605 -2.544 -6.190 1.00 0.80 N ATOM 203 CA ARG A 14 -3.433 -3.248 -5.198 1.00 0.81 C ATOM 204 C ARG A 14 -2.487 -3.820 -4.150 1.00 0.88 C ATOM 205 O ARG A 14 -1.284 -3.750 -4.335 1.00 1.45 O ATOM 206 CB ARG A 14 -4.212 -4.350 -5.900 1.00 0.97 C ATOM 207 CG ARG A 14 -5.487 -3.783 -6.540 1.00 2.16 C ATOM 208 CD ARG A 14 -6.693 -4.584 -6.030 1.00 2.03 C ATOM 209 NE ARG A 14 -6.573 -5.987 -6.537 1.00 1.81 N ATOM 210 CZ ARG A 14 -6.546 -6.993 -5.682 1.00 2.75 C ATOM 211 NH1 ARG A 14 -5.409 -7.300 -5.102 1.00 3.94 N ATOM 212 NH2 ARG A 14 -7.658 -7.638 -5.437 1.00 3.57 N ATOM 0 H ARG A 14 -1.738 -3.017 -6.447 1.00 0.80 H new ATOM 0 HA ARG A 14 -4.152 -2.583 -4.719 1.00 0.81 H new ATOM 0 HB2 ARG A 14 -3.589 -4.813 -6.665 1.00 0.97 H new ATOM 0 HB3 ARG A 14 -4.473 -5.131 -5.186 1.00 0.97 H new ATOM 0 HG2 ARG A 14 -5.600 -2.729 -6.287 1.00 2.16 H new ATOM 0 HG3 ARG A 14 -5.424 -3.845 -7.626 1.00 2.16 H new ATOM 0 HD2 ARG A 14 -6.722 -4.575 -4.940 1.00 2.03 H new ATOM 0 HD3 ARG A 14 -7.623 -4.133 -6.377 1.00 2.03 H new ATOM 0 HE ARG A 14 -6.512 -6.166 -7.539 1.00 1.81 H new ATOM 0 HH11 ARG A 14 -4.567 -6.765 -5.315 1.00 3.94 H new ATOM 0 HH12 ARG A 14 -5.367 -8.074 -4.439 1.00 3.94 H new ATOM 0 HH21 ARG A 14 -8.522 -7.360 -5.903 1.00 3.57 H new ATOM 0 HH22 ARG A 14 -7.661 -8.418 -4.780 1.00 3.57 H new ATOM 226 N VAL A 15 -3.021 -4.345 -3.079 1.00 0.98 N ATOM 227 CA VAL A 15 -2.138 -4.911 -2.027 1.00 1.06 C ATOM 228 C VAL A 15 -2.797 -6.142 -1.412 1.00 1.04 C ATOM 229 O VAL A 15 -4.025 -6.209 -1.378 1.00 1.33 O ATOM 230 CB VAL A 15 -1.937 -3.833 -0.947 1.00 1.32 C ATOM 231 CG1 VAL A 15 -0.995 -4.344 0.145 1.00 1.60 C ATOM 232 CG2 VAL A 15 -1.344 -2.571 -1.583 1.00 1.38 C ATOM 0 H VAL A 15 -4.022 -4.405 -2.891 1.00 0.98 H new ATOM 0 HA VAL A 15 -1.178 -5.205 -2.452 1.00 1.06 H new ATOM 0 HB VAL A 15 -2.903 -3.599 -0.500 1.00 1.32 H new ATOM 0 HG11 VAL A 15 -0.862 -3.571 0.902 1.00 1.60 H new ATOM 0 HG12 VAL A 15 -1.422 -5.234 0.607 1.00 1.60 H new ATOM 0 HG13 VAL A 15 -0.029 -4.591 -0.295 1.00 1.60 H new ATOM 0 HG21 VAL A 15 -1.203 -1.809 -0.816 1.00 1.38 H new ATOM 0 HG22 VAL A 15 -0.383 -2.810 -2.038 1.00 1.38 H new ATOM 0 HG23 VAL A 15 -2.024 -2.195 -2.347 1.00 1.38 H new ATOM 242 N ASN A 16 -1.988 -7.081 -0.965 1.00 0.91 N ATOM 243 CA ASN A 16 -2.551 -8.300 -0.315 1.00 0.90 C ATOM 244 C ASN A 16 -1.932 -8.340 1.077 1.00 0.88 C ATOM 245 O ASN A 16 -0.750 -8.607 1.233 1.00 1.41 O ATOM 246 CB ASN A 16 -2.189 -9.566 -1.105 1.00 0.94 C ATOM 247 CG ASN A 16 -3.465 -10.376 -1.370 1.00 1.76 C ATOM 248 OD1 ASN A 16 -4.254 -10.052 -2.240 1.00 2.11 O ATOM 249 ND2 ASN A 16 -3.726 -11.418 -0.641 1.00 3.15 N ATOM 0 H ASN A 16 -0.970 -7.050 -1.025 1.00 0.91 H new ATOM 0 HA ASN A 16 -3.640 -8.264 -0.276 1.00 0.90 H new ATOM 0 HB2 ASN A 16 -1.712 -9.297 -2.048 1.00 0.94 H new ATOM 0 HB3 ASN A 16 -1.472 -10.166 -0.545 1.00 0.94 H new ATOM 0 HD21 ASN A 16 -4.581 -11.951 -0.801 1.00 3.15 H new ATOM 0 HD22 ASN A 16 -3.076 -11.703 0.092 1.00 3.15 H new ATOM 256 N VAL A 17 -2.734 -8.064 2.061 1.00 0.82 N ATOM 257 CA VAL A 17 -2.193 -8.035 3.440 1.00 0.79 C ATOM 258 C VAL A 17 -1.947 -9.450 3.955 1.00 0.73 C ATOM 259 O VAL A 17 -2.721 -10.016 4.726 1.00 1.10 O ATOM 260 CB VAL A 17 -3.181 -7.258 4.307 1.00 0.88 C ATOM 261 CG1 VAL A 17 -2.588 -7.104 5.702 1.00 1.31 C ATOM 262 CG2 VAL A 17 -3.370 -5.860 3.692 1.00 1.33 C ATOM 0 H VAL A 17 -3.729 -7.860 1.972 1.00 0.82 H new ATOM 0 HA VAL A 17 -1.224 -7.536 3.469 1.00 0.79 H new ATOM 0 HB VAL A 17 -4.136 -7.781 4.361 1.00 0.88 H new ATOM 0 HG11 VAL A 17 -3.283 -6.550 6.334 1.00 1.31 H new ATOM 0 HG12 VAL A 17 -2.412 -8.089 6.133 1.00 1.31 H new ATOM 0 HG13 VAL A 17 -1.645 -6.562 5.638 1.00 1.31 H new ATOM 0 HG21 VAL A 17 -4.073 -5.288 4.297 1.00 1.33 H new ATOM 0 HG22 VAL A 17 -2.411 -5.342 3.664 1.00 1.33 H new ATOM 0 HG23 VAL A 17 -3.760 -5.958 2.679 1.00 1.33 H new ATOM 272 N GLU A 18 -0.849 -9.971 3.503 1.00 0.93 N ATOM 273 CA GLU A 18 -0.460 -11.332 3.903 1.00 1.07 C ATOM 274 C GLU A 18 -0.083 -11.328 5.375 1.00 1.18 C ATOM 275 O GLU A 18 -0.515 -12.180 6.133 1.00 1.33 O ATOM 276 CB GLU A 18 0.746 -11.759 3.058 1.00 1.48 C ATOM 277 CG GLU A 18 0.420 -11.667 1.555 1.00 2.17 C ATOM 278 CD GLU A 18 -0.844 -12.458 1.224 1.00 2.47 C ATOM 279 OE1 GLU A 18 -1.909 -11.914 1.449 1.00 3.41 O ATOM 280 OE2 GLU A 18 -0.675 -13.566 0.757 1.00 3.01 O ATOM 0 H GLU A 18 -0.202 -9.504 2.868 1.00 0.93 H new ATOM 0 HA GLU A 18 -1.285 -12.027 3.747 1.00 1.07 H new ATOM 0 HB2 GLU A 18 1.601 -11.124 3.289 1.00 1.48 H new ATOM 0 HB3 GLU A 18 1.030 -12.780 3.311 1.00 1.48 H new ATOM 0 HG2 GLU A 18 0.286 -10.623 1.271 1.00 2.17 H new ATOM 0 HG3 GLU A 18 1.258 -12.051 0.973 1.00 2.17 H new ATOM 287 N ASP A 19 0.681 -10.334 5.753 1.00 1.31 N ATOM 288 CA ASP A 19 1.149 -10.235 7.166 1.00 1.65 C ATOM 289 C ASP A 19 1.059 -8.805 7.713 1.00 1.42 C ATOM 290 O ASP A 19 0.483 -7.918 7.113 1.00 1.27 O ATOM 291 CB ASP A 19 2.612 -10.667 7.196 1.00 2.35 C ATOM 292 CG ASP A 19 3.471 -9.565 6.551 1.00 3.49 C ATOM 293 OD1 ASP A 19 3.098 -9.093 5.487 1.00 4.45 O ATOM 294 OD2 ASP A 19 4.452 -9.241 7.179 1.00 4.04 O ATOM 0 H ASP A 19 1.001 -9.584 5.140 1.00 1.31 H new ATOM 0 HA ASP A 19 0.513 -10.867 7.785 1.00 1.65 H new ATOM 0 HB2 ASP A 19 2.932 -10.842 8.223 1.00 2.35 H new ATOM 0 HB3 ASP A 19 2.739 -11.607 6.658 1.00 2.35 H new ATOM 299 N GLU A 20 1.742 -8.616 8.811 1.00 1.60 N ATOM 300 CA GLU A 20 1.764 -7.287 9.482 1.00 1.45 C ATOM 301 C GLU A 20 2.746 -6.327 8.797 1.00 1.41 C ATOM 302 O GLU A 20 2.520 -5.131 8.800 1.00 1.23 O ATOM 303 CB GLU A 20 2.190 -7.462 10.950 1.00 1.63 C ATOM 304 CG GLU A 20 0.954 -7.571 11.869 1.00 1.65 C ATOM 305 CD GLU A 20 0.376 -8.997 11.919 1.00 2.61 C ATOM 306 OE1 GLU A 20 0.817 -9.826 11.134 1.00 4.27 O ATOM 307 OE2 GLU A 20 -0.493 -9.175 12.757 1.00 2.98 O ATOM 0 H GLU A 20 2.293 -9.338 9.276 1.00 1.60 H new ATOM 0 HA GLU A 20 0.762 -6.864 9.418 1.00 1.45 H new ATOM 0 HB2 GLU A 20 2.804 -8.357 11.051 1.00 1.63 H new ATOM 0 HB3 GLU A 20 2.805 -6.617 11.258 1.00 1.63 H new ATOM 0 HG2 GLU A 20 1.227 -7.258 12.877 1.00 1.65 H new ATOM 0 HG3 GLU A 20 0.184 -6.883 11.519 1.00 1.65 H new ATOM 314 N ASN A 21 3.847 -6.841 8.299 1.00 1.68 N ATOM 315 CA ASN A 21 4.827 -5.937 7.614 1.00 1.79 C ATOM 316 C ASN A 21 4.064 -5.070 6.619 1.00 1.56 C ATOM 317 O ASN A 21 4.232 -3.879 6.579 1.00 1.60 O ATOM 318 CB ASN A 21 5.891 -6.756 6.870 1.00 2.20 C ATOM 319 CG ASN A 21 7.004 -5.823 6.372 1.00 2.73 C ATOM 320 OD1 ASN A 21 7.701 -5.204 7.154 1.00 3.25 O ATOM 321 ND2 ASN A 21 7.201 -5.685 5.092 1.00 3.17 N ATOM 0 H ASN A 21 4.106 -7.827 8.335 1.00 1.68 H new ATOM 0 HA ASN A 21 5.330 -5.317 8.356 1.00 1.79 H new ATOM 0 HB2 ASN A 21 6.308 -7.515 7.531 1.00 2.20 H new ATOM 0 HB3 ASN A 21 5.438 -7.280 6.028 1.00 2.20 H new ATOM 0 HD21 ASN A 21 7.934 -5.062 4.753 1.00 3.17 H new ATOM 0 HD22 ASN A 21 6.622 -6.200 4.428 1.00 3.17 H new ATOM 328 N ASP A 22 3.223 -5.704 5.853 1.00 1.38 N ATOM 329 CA ASP A 22 2.416 -4.958 4.846 1.00 1.27 C ATOM 330 C ASP A 22 1.562 -3.854 5.498 1.00 1.13 C ATOM 331 O ASP A 22 1.598 -2.702 5.103 1.00 1.31 O ATOM 332 CB ASP A 22 1.510 -5.976 4.128 1.00 1.13 C ATOM 333 CG ASP A 22 0.920 -5.372 2.855 1.00 2.50 C ATOM 334 OD1 ASP A 22 1.398 -4.319 2.480 1.00 3.57 O ATOM 335 OD2 ASP A 22 0.045 -6.014 2.309 1.00 3.23 O ATOM 0 H ASP A 22 3.058 -6.710 5.880 1.00 1.38 H new ATOM 0 HA ASP A 22 3.085 -4.463 4.142 1.00 1.27 H new ATOM 0 HB2 ASP A 22 2.084 -6.869 3.880 1.00 1.13 H new ATOM 0 HB3 ASP A 22 0.706 -6.288 4.795 1.00 1.13 H new ATOM 340 N ILE A 23 0.824 -4.223 6.504 1.00 0.90 N ATOM 341 CA ILE A 23 -0.048 -3.220 7.193 1.00 0.82 C ATOM 342 C ILE A 23 0.817 -2.084 7.743 1.00 1.00 C ATOM 343 O ILE A 23 0.530 -0.909 7.569 1.00 1.22 O ATOM 344 CB ILE A 23 -0.787 -3.927 8.335 1.00 0.67 C ATOM 345 CG1 ILE A 23 -1.506 -5.158 7.766 1.00 0.66 C ATOM 346 CG2 ILE A 23 -1.819 -2.969 8.943 1.00 0.88 C ATOM 347 CD1 ILE A 23 -2.110 -5.999 8.894 1.00 0.84 C ATOM 0 H ILE A 23 0.783 -5.170 6.882 1.00 0.90 H new ATOM 0 HA ILE A 23 -0.770 -2.798 6.494 1.00 0.82 H new ATOM 0 HB ILE A 23 -0.080 -4.231 9.107 1.00 0.67 H new ATOM 0 HG12 ILE A 23 -2.292 -4.842 7.080 1.00 0.66 H new ATOM 0 HG13 ILE A 23 -0.804 -5.762 7.191 1.00 0.66 H new ATOM 0 HG21 ILE A 23 -2.346 -3.470 9.755 1.00 0.88 H new ATOM 0 HG22 ILE A 23 -1.312 -2.085 9.330 1.00 0.88 H new ATOM 0 HG23 ILE A 23 -2.534 -2.670 8.176 1.00 0.88 H new ATOM 0 HD11 ILE A 23 -2.615 -6.867 8.470 1.00 0.84 H new ATOM 0 HD12 ILE A 23 -1.317 -6.332 9.564 1.00 0.84 H new ATOM 0 HD13 ILE A 23 -2.828 -5.398 9.452 1.00 0.84 H new ATOM 359 N SER A 24 1.869 -2.473 8.399 1.00 1.01 N ATOM 360 CA SER A 24 2.806 -1.481 8.981 1.00 1.17 C ATOM 361 C SER A 24 3.445 -0.677 7.838 1.00 1.26 C ATOM 362 O SER A 24 3.168 0.493 7.704 1.00 1.62 O ATOM 363 CB SER A 24 3.861 -2.249 9.790 1.00 1.24 C ATOM 364 OG SER A 24 3.083 -3.104 10.632 1.00 1.39 O ATOM 0 H SER A 24 2.122 -3.448 8.558 1.00 1.01 H new ATOM 0 HA SER A 24 2.295 -0.781 9.642 1.00 1.17 H new ATOM 0 HB2 SER A 24 4.525 -2.821 9.142 1.00 1.24 H new ATOM 0 HB3 SER A 24 4.488 -1.575 10.373 1.00 1.24 H new ATOM 0 HG SER A 24 2.930 -3.959 10.178 1.00 1.39 H new ATOM 370 N GLU A 25 4.269 -1.323 7.044 1.00 1.11 N ATOM 371 CA GLU A 25 4.921 -0.624 5.884 1.00 1.22 C ATOM 372 C GLU A 25 3.939 0.355 5.230 1.00 1.25 C ATOM 373 O GLU A 25 4.283 1.489 4.920 1.00 1.33 O ATOM 374 CB GLU A 25 5.365 -1.671 4.846 1.00 1.37 C ATOM 375 CG GLU A 25 6.709 -2.308 5.269 1.00 1.47 C ATOM 376 CD GLU A 25 7.562 -2.701 4.046 1.00 2.58 C ATOM 377 OE1 GLU A 25 7.190 -2.325 2.948 1.00 4.28 O ATOM 378 OE2 GLU A 25 8.567 -3.352 4.280 1.00 2.80 O ATOM 0 H GLU A 25 4.519 -2.306 7.148 1.00 1.11 H new ATOM 0 HA GLU A 25 5.785 -0.067 6.246 1.00 1.22 H new ATOM 0 HB2 GLU A 25 4.603 -2.444 4.750 1.00 1.37 H new ATOM 0 HB3 GLU A 25 5.469 -1.202 3.868 1.00 1.37 H new ATOM 0 HG2 GLU A 25 7.265 -1.606 5.890 1.00 1.47 H new ATOM 0 HG3 GLU A 25 6.518 -3.191 5.879 1.00 1.47 H new ATOM 385 N LEU A 26 2.730 -0.116 5.027 1.00 1.24 N ATOM 386 CA LEU A 26 1.703 0.736 4.420 1.00 1.31 C ATOM 387 C LEU A 26 1.510 1.960 5.325 1.00 1.27 C ATOM 388 O LEU A 26 1.553 3.082 4.852 1.00 1.33 O ATOM 389 CB LEU A 26 0.436 -0.115 4.302 1.00 1.36 C ATOM 390 CG LEU A 26 -0.732 0.754 3.885 1.00 1.78 C ATOM 391 CD1 LEU A 26 -0.455 1.400 2.521 1.00 2.30 C ATOM 392 CD2 LEU A 26 -1.999 -0.105 3.802 1.00 2.17 C ATOM 0 H LEU A 26 2.426 -1.061 5.263 1.00 1.24 H new ATOM 0 HA LEU A 26 1.974 1.099 3.429 1.00 1.31 H new ATOM 0 HB2 LEU A 26 0.588 -0.910 3.572 1.00 1.36 H new ATOM 0 HB3 LEU A 26 0.220 -0.596 5.256 1.00 1.36 H new ATOM 0 HG LEU A 26 -0.871 1.543 4.624 1.00 1.78 H new ATOM 0 HD11 LEU A 26 -1.303 2.022 2.234 1.00 2.30 H new ATOM 0 HD12 LEU A 26 0.442 2.017 2.586 1.00 2.30 H new ATOM 0 HD13 LEU A 26 -0.306 0.621 1.773 1.00 2.30 H new ATOM 0 HD21 LEU A 26 -2.842 0.518 3.502 1.00 2.17 H new ATOM 0 HD22 LEU A 26 -1.854 -0.897 3.068 1.00 2.17 H new ATOM 0 HD23 LEU A 26 -2.203 -0.547 4.777 1.00 2.17 H new ATOM 404 N HIS A 27 1.308 1.709 6.602 1.00 1.22 N ATOM 405 CA HIS A 27 1.141 2.845 7.563 1.00 1.26 C ATOM 406 C HIS A 27 2.307 3.811 7.382 1.00 1.13 C ATOM 407 O HIS A 27 2.091 4.978 7.127 1.00 1.20 O ATOM 408 CB HIS A 27 1.106 2.326 9.005 1.00 1.30 C ATOM 409 CG HIS A 27 -0.311 2.039 9.498 1.00 1.13 C ATOM 410 ND1 HIS A 27 -1.106 3.004 9.854 1.00 1.84 N ATOM 411 CD2 HIS A 27 -1.011 0.878 9.659 1.00 1.10 C ATOM 412 CE1 HIS A 27 -2.256 2.495 10.230 1.00 1.76 C ATOM 413 NE2 HIS A 27 -2.191 1.192 10.109 1.00 1.16 N ATOM 0 H HIS A 27 1.253 0.777 7.013 1.00 1.22 H new ATOM 0 HA HIS A 27 0.199 3.357 7.364 1.00 1.26 H new ATOM 0 HB2 HIS A 27 1.701 1.415 9.073 1.00 1.30 H new ATOM 0 HB3 HIS A 27 1.572 3.060 9.662 1.00 1.30 H new ATOM 0 HD2 HIS A 27 -0.651 -0.119 9.451 1.00 1.10 H new ATOM 0 HE1 HIS A 27 -3.111 3.055 10.580 1.00 1.76 H new ATOM 0 HE2 HIS A 27 -2.939 0.535 10.330 1.00 1.16 H new ATOM 421 N GLU A 28 3.509 3.308 7.510 1.00 1.05 N ATOM 422 CA GLU A 28 4.696 4.099 7.340 1.00 0.97 C ATOM 423 C GLU A 28 4.613 4.923 6.051 1.00 0.92 C ATOM 424 O GLU A 28 4.935 6.094 6.037 1.00 1.11 O ATOM 425 CB GLU A 28 5.805 3.059 7.281 1.00 0.94 C ATOM 426 CG GLU A 28 5.771 2.081 8.478 1.00 2.64 C ATOM 427 CD GLU A 28 5.385 2.808 9.770 1.00 3.64 C ATOM 428 OE1 GLU A 28 6.193 3.604 10.202 1.00 3.63 O ATOM 429 OE2 GLU A 28 4.299 2.514 10.246 1.00 5.10 O ATOM 0 H GLU A 28 3.690 2.330 7.737 1.00 1.05 H new ATOM 0 HA GLU A 28 4.854 4.827 8.136 1.00 0.97 H new ATOM 0 HB2 GLU A 28 5.718 2.494 6.353 1.00 0.94 H new ATOM 0 HB3 GLU A 28 6.770 3.564 7.257 1.00 0.94 H new ATOM 0 HG2 GLU A 28 5.057 1.282 8.279 1.00 2.64 H new ATOM 0 HG3 GLU A 28 6.748 1.613 8.598 1.00 2.64 H new ATOM 436 N LEU A 29 4.140 4.292 5.008 1.00 0.82 N ATOM 437 CA LEU A 29 4.029 4.988 3.690 1.00 0.86 C ATOM 438 C LEU A 29 2.799 5.906 3.632 1.00 1.00 C ATOM 439 O LEU A 29 2.763 6.811 2.817 1.00 1.50 O ATOM 440 CB LEU A 29 3.931 3.923 2.583 1.00 0.98 C ATOM 441 CG LEU A 29 3.851 4.569 1.184 1.00 1.19 C ATOM 442 CD1 LEU A 29 5.185 5.241 0.820 1.00 1.64 C ATOM 443 CD2 LEU A 29 3.538 3.489 0.143 1.00 1.75 C ATOM 0 H LEU A 29 3.825 3.322 5.012 1.00 0.82 H new ATOM 0 HA LEU A 29 4.911 5.613 3.551 1.00 0.86 H new ATOM 0 HB2 LEU A 29 4.798 3.265 2.632 1.00 0.98 H new ATOM 0 HB3 LEU A 29 3.050 3.303 2.750 1.00 0.98 H new ATOM 0 HG LEU A 29 3.065 5.324 1.194 1.00 1.19 H new ATOM 0 HD11 LEU A 29 5.108 5.690 -0.170 1.00 1.64 H new ATOM 0 HD12 LEU A 29 5.415 6.015 1.553 1.00 1.64 H new ATOM 0 HD13 LEU A 29 5.980 4.495 0.819 1.00 1.64 H new ATOM 0 HD21 LEU A 29 3.481 3.943 -0.846 1.00 1.75 H new ATOM 0 HD22 LEU A 29 4.326 2.736 0.152 1.00 1.75 H new ATOM 0 HD23 LEU A 29 2.584 3.019 0.382 1.00 1.75 H new ATOM 455 N ALA A 30 1.843 5.706 4.501 1.00 0.93 N ATOM 456 CA ALA A 30 0.623 6.584 4.458 1.00 1.23 C ATOM 457 C ALA A 30 0.917 7.926 5.140 1.00 1.35 C ATOM 458 O ALA A 30 0.144 8.430 5.937 1.00 1.61 O ATOM 459 CB ALA A 30 -0.531 5.878 5.182 1.00 1.48 C ATOM 0 H ALA A 30 1.846 4.990 5.227 1.00 0.93 H new ATOM 0 HA ALA A 30 0.347 6.770 3.420 1.00 1.23 H new ATOM 0 HB1 ALA A 30 -1.419 6.510 5.154 1.00 1.48 H new ATOM 0 HB2 ALA A 30 -0.745 4.930 4.688 1.00 1.48 H new ATOM 0 HB3 ALA A 30 -0.250 5.692 6.219 1.00 1.48 H new ATOM 465 N SER A 31 2.060 8.457 4.823 1.00 2.17 N ATOM 466 CA SER A 31 2.489 9.757 5.395 1.00 2.51 C ATOM 467 C SER A 31 3.341 10.490 4.354 1.00 2.58 C ATOM 468 O SER A 31 3.004 11.561 3.898 1.00 3.43 O ATOM 469 CB SER A 31 3.314 9.469 6.653 1.00 2.72 C ATOM 470 OG SER A 31 4.385 8.655 6.176 1.00 3.64 O ATOM 0 H SER A 31 2.728 8.035 4.178 1.00 2.17 H new ATOM 0 HA SER A 31 1.633 10.380 5.654 1.00 2.51 H new ATOM 0 HB2 SER A 31 3.682 10.388 7.110 1.00 2.72 H new ATOM 0 HB3 SER A 31 2.724 8.951 7.409 1.00 2.72 H new ATOM 0 HG SER A 31 4.171 7.711 6.327 1.00 3.64 H new ATOM 476 N THR A 32 4.430 9.855 4.003 1.00 2.05 N ATOM 477 CA THR A 32 5.366 10.444 3.005 1.00 2.35 C ATOM 478 C THR A 32 4.665 10.604 1.664 1.00 2.41 C ATOM 479 O THR A 32 4.740 11.645 1.049 1.00 2.75 O ATOM 480 CB THR A 32 6.582 9.520 2.825 1.00 2.40 C ATOM 481 OG1 THR A 32 6.066 8.334 2.219 1.00 3.09 O ATOM 482 CG2 THR A 32 7.169 9.071 4.168 1.00 2.45 C ATOM 0 H THR A 32 4.711 8.946 4.370 1.00 2.05 H new ATOM 0 HA THR A 32 5.693 11.420 3.365 1.00 2.35 H new ATOM 0 HB THR A 32 7.351 10.042 2.256 1.00 2.40 H new ATOM 0 HG1 THR A 32 6.796 7.697 2.073 1.00 3.09 H new ATOM 0 HG21 THR A 32 8.025 8.420 3.991 1.00 2.45 H new ATOM 0 HG22 THR A 32 7.488 9.945 4.736 1.00 2.45 H new ATOM 0 HG23 THR A 32 6.411 8.528 4.733 1.00 2.45 H new ATOM 490 N ARG A 33 3.996 9.560 1.245 1.00 2.51 N ATOM 491 CA ARG A 33 3.292 9.628 -0.076 1.00 2.83 C ATOM 492 C ARG A 33 1.833 10.057 0.124 1.00 1.60 C ATOM 493 O ARG A 33 1.335 10.059 1.231 1.00 1.82 O ATOM 494 CB ARG A 33 3.336 8.241 -0.745 1.00 4.15 C ATOM 495 CG ARG A 33 3.686 8.392 -2.228 1.00 5.62 C ATOM 496 CD ARG A 33 5.205 8.558 -2.362 1.00 7.09 C ATOM 497 NE ARG A 33 5.494 9.384 -3.567 1.00 8.14 N ATOM 498 CZ ARG A 33 5.901 10.603 -3.413 1.00 8.67 C ATOM 499 NH1 ARG A 33 5.003 11.530 -3.257 1.00 8.42 N ATOM 500 NH2 ARG A 33 7.183 10.837 -3.420 1.00 9.87 N ATOM 0 H ARG A 33 3.906 8.677 1.748 1.00 2.51 H new ATOM 0 HA ARG A 33 3.790 10.360 -0.711 1.00 2.83 H new ATOM 0 HB2 ARG A 33 4.075 7.611 -0.250 1.00 4.15 H new ATOM 0 HB3 ARG A 33 2.371 7.745 -0.638 1.00 4.15 H new ATOM 0 HG2 ARG A 33 3.351 7.518 -2.786 1.00 5.62 H new ATOM 0 HG3 ARG A 33 3.173 9.256 -2.651 1.00 5.62 H new ATOM 0 HD2 ARG A 33 5.612 9.035 -1.471 1.00 7.09 H new ATOM 0 HD3 ARG A 33 5.685 7.583 -2.449 1.00 7.09 H new ATOM 0 HE ARG A 33 5.373 8.994 -4.502 1.00 8.14 H new ATOM 0 HH11 ARG A 33 4.013 11.286 -3.259 1.00 8.42 H new ATOM 0 HH12 ARG A 33 5.289 12.501 -3.133 1.00 8.42 H new ATOM 0 HH21 ARG A 33 7.841 10.068 -3.545 1.00 9.87 H new ATOM 0 HH22 ARG A 33 7.528 11.789 -3.301 1.00 9.87 H new ATOM 514 N GLN A 34 1.172 10.389 -0.959 1.00 2.16 N ATOM 515 CA GLN A 34 -0.258 10.831 -0.864 1.00 2.47 C ATOM 516 C GLN A 34 -1.151 9.832 -1.619 1.00 2.24 C ATOM 517 O GLN A 34 -2.053 10.212 -2.356 1.00 2.91 O ATOM 518 CB GLN A 34 -0.395 12.224 -1.507 1.00 3.83 C ATOM 519 CG GLN A 34 0.659 13.203 -0.945 1.00 3.89 C ATOM 520 CD GLN A 34 1.125 14.187 -2.035 1.00 4.95 C ATOM 521 OE1 GLN A 34 1.430 15.329 -1.771 1.00 5.82 O ATOM 522 NE2 GLN A 34 1.229 13.787 -3.267 1.00 5.64 N ATOM 0 H GLN A 34 1.558 10.374 -1.903 1.00 2.16 H new ATOM 0 HA GLN A 34 -0.563 10.874 0.181 1.00 2.47 H new ATOM 0 HB2 GLN A 34 -0.279 12.142 -2.588 1.00 3.83 H new ATOM 0 HB3 GLN A 34 -1.395 12.616 -1.322 1.00 3.83 H new ATOM 0 HG2 GLN A 34 0.238 13.756 -0.105 1.00 3.89 H new ATOM 0 HG3 GLN A 34 1.514 12.645 -0.563 1.00 3.89 H new ATOM 0 HE21 GLN A 34 0.978 12.830 -3.515 1.00 5.64 H new ATOM 0 HE22 GLN A 34 1.561 14.430 -3.986 1.00 5.64 H new ATOM 531 N ILE A 35 -0.905 8.573 -1.395 1.00 1.67 N ATOM 532 CA ILE A 35 -1.712 7.532 -2.090 1.00 1.57 C ATOM 533 C ILE A 35 -3.136 7.499 -1.523 1.00 1.48 C ATOM 534 O ILE A 35 -3.323 7.518 -0.321 1.00 1.77 O ATOM 535 CB ILE A 35 -1.025 6.160 -1.908 1.00 1.48 C ATOM 536 CG1 ILE A 35 -0.824 5.839 -0.413 1.00 1.57 C ATOM 537 CG2 ILE A 35 0.334 6.201 -2.611 1.00 1.65 C ATOM 538 CD1 ILE A 35 -0.185 4.452 -0.248 1.00 1.76 C ATOM 0 H ILE A 35 -0.185 8.220 -0.765 1.00 1.67 H new ATOM 0 HA ILE A 35 -1.776 7.766 -3.153 1.00 1.57 H new ATOM 0 HB ILE A 35 -1.656 5.383 -2.339 1.00 1.48 H new ATOM 0 HG12 ILE A 35 -0.189 6.597 0.047 1.00 1.57 H new ATOM 0 HG13 ILE A 35 -1.783 5.869 0.105 1.00 1.57 H new ATOM 0 HG21 ILE A 35 0.834 5.240 -2.493 1.00 1.65 H new ATOM 0 HG22 ILE A 35 0.189 6.407 -3.672 1.00 1.65 H new ATOM 0 HG23 ILE A 35 0.948 6.986 -2.170 1.00 1.65 H new ATOM 0 HD11 ILE A 35 -0.049 4.238 0.812 1.00 1.76 H new ATOM 0 HD12 ILE A 35 -0.835 3.697 -0.690 1.00 1.76 H new ATOM 0 HD13 ILE A 35 0.783 4.435 -0.749 1.00 1.76 H new ATOM 550 N ASP A 36 -4.110 7.465 -2.386 1.00 1.32 N ATOM 551 CA ASP A 36 -5.519 7.414 -1.896 1.00 1.30 C ATOM 552 C ASP A 36 -5.987 5.973 -2.048 1.00 1.27 C ATOM 553 O ASP A 36 -5.456 5.257 -2.880 1.00 1.39 O ATOM 554 CB ASP A 36 -6.388 8.384 -2.711 1.00 1.42 C ATOM 555 CG ASP A 36 -6.044 8.290 -4.196 1.00 2.30 C ATOM 556 OD1 ASP A 36 -5.050 8.890 -4.559 1.00 3.01 O ATOM 557 OD2 ASP A 36 -6.794 7.637 -4.890 1.00 3.59 O ATOM 0 H ASP A 36 -3.997 7.470 -3.400 1.00 1.32 H new ATOM 0 HA ASP A 36 -5.596 7.720 -0.853 1.00 1.30 H new ATOM 0 HB2 ASP A 36 -7.442 8.152 -2.560 1.00 1.42 H new ATOM 0 HB3 ASP A 36 -6.233 9.404 -2.359 1.00 1.42 H new ATOM 562 N PHE A 37 -6.976 5.579 -1.292 1.00 1.27 N ATOM 563 CA PHE A 37 -7.425 4.158 -1.379 1.00 1.28 C ATOM 564 C PHE A 37 -8.773 4.025 -2.071 1.00 1.37 C ATOM 565 O PHE A 37 -9.561 4.952 -2.110 1.00 1.68 O ATOM 566 CB PHE A 37 -7.519 3.581 0.042 1.00 1.47 C ATOM 567 CG PHE A 37 -6.130 3.612 0.703 1.00 1.26 C ATOM 568 CD1 PHE A 37 -5.558 4.811 1.096 1.00 1.60 C ATOM 569 CD2 PHE A 37 -5.417 2.441 0.890 1.00 1.37 C ATOM 570 CE1 PHE A 37 -4.300 4.839 1.657 1.00 1.66 C ATOM 571 CE2 PHE A 37 -4.158 2.469 1.461 1.00 1.41 C ATOM 572 CZ PHE A 37 -3.598 3.669 1.843 1.00 1.37 C ATOM 0 H PHE A 37 -7.484 6.165 -0.630 1.00 1.27 H new ATOM 0 HA PHE A 37 -6.697 3.607 -1.974 1.00 1.28 H new ATOM 0 HB2 PHE A 37 -8.228 4.159 0.634 1.00 1.47 H new ATOM 0 HB3 PHE A 37 -7.893 2.558 0.006 1.00 1.47 H new ATOM 0 HD1 PHE A 37 -6.104 5.733 0.961 1.00 1.60 H new ATOM 0 HD2 PHE A 37 -5.847 1.498 0.588 1.00 1.37 H new ATOM 0 HE1 PHE A 37 -3.863 5.782 1.952 1.00 1.66 H new ATOM 0 HE2 PHE A 37 -3.612 1.549 1.608 1.00 1.41 H new ATOM 0 HZ PHE A 37 -2.613 3.692 2.286 1.00 1.37 H new ATOM 582 N TRP A 38 -8.998 2.859 -2.604 1.00 1.32 N ATOM 583 CA TRP A 38 -10.290 2.600 -3.296 1.00 1.48 C ATOM 584 C TRP A 38 -11.046 1.566 -2.466 1.00 1.41 C ATOM 585 O TRP A 38 -12.140 1.833 -2.013 1.00 1.51 O ATOM 586 CB TRP A 38 -10.020 2.096 -4.721 1.00 1.54 C ATOM 587 CG TRP A 38 -11.248 1.968 -5.628 1.00 2.39 C ATOM 588 CD1 TRP A 38 -12.535 1.737 -5.233 1.00 3.67 C ATOM 589 CD2 TRP A 38 -11.333 2.081 -6.997 1.00 2.50 C ATOM 590 NE1 TRP A 38 -13.326 1.720 -6.263 1.00 4.40 N ATOM 591 CE2 TRP A 38 -12.656 1.926 -7.377 1.00 3.71 C ATOM 592 CE3 TRP A 38 -10.339 2.303 -7.933 1.00 2.09 C ATOM 593 CZ2 TRP A 38 -13.019 1.996 -8.697 1.00 4.16 C ATOM 594 CZ3 TRP A 38 -10.719 2.366 -9.267 1.00 2.67 C ATOM 595 CH2 TRP A 38 -12.045 2.217 -9.645 1.00 3.52 C ATOM 0 H TRP A 38 -8.345 2.075 -2.591 1.00 1.32 H new ATOM 0 HA TRP A 38 -10.888 3.507 -3.384 1.00 1.48 H new ATOM 0 HB2 TRP A 38 -9.310 2.772 -5.197 1.00 1.54 H new ATOM 0 HB3 TRP A 38 -9.537 1.121 -4.656 1.00 1.54 H new ATOM 0 HD1 TRP A 38 -12.850 1.590 -4.210 1.00 3.67 H new ATOM 0 HE1 TRP A 38 -14.333 1.567 -6.215 1.00 4.40 H new ATOM 0 HE3 TRP A 38 -9.307 2.423 -7.638 1.00 2.09 H new ATOM 0 HZ2 TRP A 38 -14.052 1.880 -8.989 1.00 4.16 H new ATOM 0 HZ3 TRP A 38 -9.968 2.534 -10.025 1.00 2.67 H new ATOM 0 HH2 TRP A 38 -12.315 2.275 -10.689 1.00 3.52 H new ATOM 606 N LYS A 39 -10.480 0.393 -2.314 1.00 1.34 N ATOM 607 CA LYS A 39 -11.167 -0.630 -1.459 1.00 1.31 C ATOM 608 C LYS A 39 -10.216 -1.083 -0.358 1.00 1.12 C ATOM 609 O LYS A 39 -9.014 -1.064 -0.536 1.00 0.98 O ATOM 610 CB LYS A 39 -11.557 -1.863 -2.286 1.00 1.47 C ATOM 611 CG LYS A 39 -12.129 -1.442 -3.647 1.00 2.14 C ATOM 612 CD LYS A 39 -12.718 -2.665 -4.379 1.00 2.78 C ATOM 613 CE LYS A 39 -11.763 -3.875 -4.316 1.00 3.69 C ATOM 614 NZ LYS A 39 -10.360 -3.487 -4.625 1.00 4.05 N ATOM 0 H LYS A 39 -9.596 0.103 -2.732 1.00 1.34 H new ATOM 0 HA LYS A 39 -12.065 -0.176 -1.040 1.00 1.31 H new ATOM 0 HB2 LYS A 39 -10.685 -2.500 -2.433 1.00 1.47 H new ATOM 0 HB3 LYS A 39 -12.294 -2.454 -1.743 1.00 1.47 H new ATOM 0 HG2 LYS A 39 -12.902 -0.686 -3.507 1.00 2.14 H new ATOM 0 HG3 LYS A 39 -11.346 -0.988 -4.254 1.00 2.14 H new ATOM 0 HD2 LYS A 39 -13.675 -2.932 -3.932 1.00 2.78 H new ATOM 0 HD3 LYS A 39 -12.913 -2.408 -5.420 1.00 2.78 H new ATOM 0 HE2 LYS A 39 -11.806 -4.321 -3.323 1.00 3.69 H new ATOM 0 HE3 LYS A 39 -12.094 -4.637 -5.022 1.00 3.69 H new ATOM 0 HZ1 LYS A 39 -9.812 -4.335 -4.873 1.00 4.05 H new ATOM 0 HZ2 LYS A 39 -10.352 -2.823 -5.426 1.00 4.05 H new ATOM 0 HZ3 LYS A 39 -9.935 -3.031 -3.793 1.00 4.05 H new ATOM 628 N PRO A 40 -10.764 -1.523 0.752 1.00 1.44 N ATOM 629 CA PRO A 40 -11.970 -0.935 1.411 1.00 1.73 C ATOM 630 C PRO A 40 -11.572 0.158 2.392 1.00 1.86 C ATOM 631 O PRO A 40 -12.174 1.210 2.493 1.00 2.92 O ATOM 632 CB PRO A 40 -12.529 -2.108 2.202 1.00 2.59 C ATOM 633 CG PRO A 40 -11.303 -2.985 2.551 1.00 2.25 C ATOM 634 CD PRO A 40 -10.274 -2.747 1.432 1.00 1.85 C ATOM 0 HA PRO A 40 -12.663 -0.494 0.695 1.00 1.73 H new ATOM 0 HB2 PRO A 40 -13.039 -1.768 3.103 1.00 2.59 H new ATOM 0 HB3 PRO A 40 -13.258 -2.667 1.615 1.00 2.59 H new ATOM 0 HG2 PRO A 40 -10.892 -2.711 3.523 1.00 2.25 H new ATOM 0 HG3 PRO A 40 -11.580 -4.038 2.608 1.00 2.25 H new ATOM 0 HD2 PRO A 40 -9.271 -2.606 1.835 1.00 1.85 H new ATOM 0 HD3 PRO A 40 -10.226 -3.593 0.746 1.00 1.85 H new ATOM 642 N ASP A 41 -10.541 -0.176 3.079 1.00 2.30 N ATOM 643 CA ASP A 41 -9.971 0.611 4.091 1.00 3.15 C ATOM 644 C ASP A 41 -9.190 1.710 3.434 1.00 2.42 C ATOM 645 O ASP A 41 -9.310 2.077 2.282 1.00 3.09 O ATOM 646 CB ASP A 41 -9.048 -0.391 4.862 1.00 5.20 C ATOM 647 CG ASP A 41 -9.756 -0.993 6.070 1.00 5.64 C ATOM 648 OD1 ASP A 41 -10.094 -0.201 6.943 1.00 5.34 O ATOM 649 OD2 ASP A 41 -9.892 -2.203 6.068 1.00 6.74 O ATOM 0 H ASP A 41 -10.050 -1.058 2.935 1.00 2.30 H new ATOM 0 HA ASP A 41 -10.684 1.085 4.766 1.00 3.15 H new ATOM 0 HB2 ASP A 41 -8.734 -1.189 4.189 1.00 5.20 H new ATOM 0 HB3 ASP A 41 -8.145 0.124 5.189 1.00 5.20 H new ATOM 654 N SER A 42 -8.379 2.104 4.254 1.00 2.11 N ATOM 655 CA SER A 42 -7.400 3.205 4.036 1.00 2.44 C ATOM 656 C SER A 42 -6.346 3.058 5.120 1.00 1.99 C ATOM 657 O SER A 42 -6.137 3.976 5.886 1.00 3.33 O ATOM 658 CB SER A 42 -8.083 4.572 4.207 1.00 3.34 C ATOM 659 OG SER A 42 -9.094 4.649 3.213 1.00 4.50 O ATOM 0 H SER A 42 -8.308 1.694 5.185 1.00 2.11 H new ATOM 0 HA SER A 42 -6.979 3.150 3.032 1.00 2.44 H new ATOM 0 HB2 SER A 42 -8.512 4.668 5.204 1.00 3.34 H new ATOM 0 HB3 SER A 42 -7.363 5.382 4.090 1.00 3.34 H new ATOM 0 HG SER A 42 -9.560 5.508 3.286 1.00 4.50 H new ATOM 665 N VAL A 43 -5.699 1.919 5.154 1.00 1.78 N ATOM 666 CA VAL A 43 -4.681 1.658 6.227 1.00 1.15 C ATOM 667 C VAL A 43 -5.291 2.109 7.569 1.00 1.21 C ATOM 668 O VAL A 43 -4.631 2.606 8.453 1.00 2.27 O ATOM 669 CB VAL A 43 -3.349 2.385 5.878 1.00 1.37 C ATOM 670 CG1 VAL A 43 -3.427 3.909 6.041 1.00 1.78 C ATOM 671 CG2 VAL A 43 -2.231 1.859 6.771 1.00 1.78 C ATOM 0 H VAL A 43 -5.829 1.158 4.488 1.00 1.78 H new ATOM 0 HA VAL A 43 -4.434 0.599 6.304 1.00 1.15 H new ATOM 0 HB VAL A 43 -3.151 2.177 4.827 1.00 1.37 H new ATOM 0 HG11 VAL A 43 -2.466 4.352 5.782 1.00 1.78 H new ATOM 0 HG12 VAL A 43 -4.199 4.306 5.382 1.00 1.78 H new ATOM 0 HG13 VAL A 43 -3.672 4.152 7.075 1.00 1.78 H new ATOM 0 HG21 VAL A 43 -1.299 2.369 6.526 1.00 1.78 H new ATOM 0 HG22 VAL A 43 -2.482 2.044 7.815 1.00 1.78 H new ATOM 0 HG23 VAL A 43 -2.111 0.787 6.611 1.00 1.78 H new ATOM 681 N THR A 44 -6.564 1.835 7.681 1.00 1.60 N ATOM 682 CA THR A 44 -7.341 2.215 8.892 1.00 2.19 C ATOM 683 C THR A 44 -7.627 1.004 9.785 1.00 1.67 C ATOM 684 O THR A 44 -7.122 0.930 10.890 1.00 2.05 O ATOM 685 CB THR A 44 -8.651 2.838 8.388 1.00 3.38 C ATOM 686 OG1 THR A 44 -8.902 2.195 7.127 1.00 3.58 O ATOM 687 CG2 THR A 44 -8.470 4.320 8.049 1.00 4.19 C ATOM 0 H THR A 44 -7.108 1.352 6.966 1.00 1.60 H new ATOM 0 HA THR A 44 -6.774 2.916 9.504 1.00 2.19 H new ATOM 0 HB THR A 44 -9.430 2.725 9.142 1.00 3.38 H new ATOM 0 HG1 THR A 44 -9.542 1.464 7.254 1.00 3.58 H new ATOM 0 HG21 THR A 44 -9.416 4.730 7.695 1.00 4.19 H new ATOM 0 HG22 THR A 44 -8.150 4.861 8.940 1.00 4.19 H new ATOM 0 HG23 THR A 44 -7.715 4.425 7.270 1.00 4.19 H new ATOM 695 N GLN A 45 -8.431 0.087 9.302 1.00 1.49 N ATOM 696 CA GLN A 45 -8.748 -1.123 10.122 1.00 1.46 C ATOM 697 C GLN A 45 -8.351 -2.372 9.342 1.00 1.35 C ATOM 698 O GLN A 45 -9.119 -3.308 9.207 1.00 1.71 O ATOM 699 CB GLN A 45 -10.254 -1.172 10.442 1.00 2.01 C ATOM 700 CG GLN A 45 -10.666 0.050 11.282 1.00 2.59 C ATOM 701 CD GLN A 45 -11.046 1.255 10.410 1.00 3.00 C ATOM 702 OE1 GLN A 45 -11.297 2.331 10.916 1.00 4.11 O ATOM 703 NE2 GLN A 45 -11.128 1.144 9.112 1.00 3.47 N ATOM 0 H GLN A 45 -8.877 0.123 8.385 1.00 1.49 H new ATOM 0 HA GLN A 45 -8.192 -1.077 11.059 1.00 1.46 H new ATOM 0 HB2 GLN A 45 -10.828 -1.194 9.516 1.00 2.01 H new ATOM 0 HB3 GLN A 45 -10.487 -2.089 10.984 1.00 2.01 H new ATOM 0 HG2 GLN A 45 -11.511 -0.217 11.917 1.00 2.59 H new ATOM 0 HG3 GLN A 45 -9.845 0.327 11.943 1.00 2.59 H new ATOM 0 HE21 GLN A 45 -10.922 0.252 8.662 1.00 3.47 H new ATOM 0 HE22 GLN A 45 -11.398 1.949 8.547 1.00 3.47 H new ATOM 712 N ILE A 46 -7.121 -2.398 8.911 1.00 1.12 N ATOM 713 CA ILE A 46 -6.658 -3.563 8.116 1.00 1.11 C ATOM 714 C ILE A 46 -6.051 -4.628 9.029 1.00 1.09 C ATOM 715 O ILE A 46 -5.328 -4.323 9.958 1.00 1.10 O ATOM 716 CB ILE A 46 -5.596 -3.093 7.114 1.00 1.05 C ATOM 717 CG1 ILE A 46 -6.163 -1.932 6.276 1.00 1.38 C ATOM 718 CG2 ILE A 46 -5.219 -4.258 6.189 1.00 1.15 C ATOM 719 CD1 ILE A 46 -5.140 -1.503 5.212 1.00 2.36 C ATOM 0 H ILE A 46 -6.425 -1.670 9.074 1.00 1.12 H new ATOM 0 HA ILE A 46 -7.510 -3.995 7.591 1.00 1.11 H new ATOM 0 HB ILE A 46 -4.710 -2.754 7.651 1.00 1.05 H new ATOM 0 HG12 ILE A 46 -7.092 -2.239 5.796 1.00 1.38 H new ATOM 0 HG13 ILE A 46 -6.402 -1.088 6.923 1.00 1.38 H new ATOM 0 HG21 ILE A 46 -4.464 -3.927 5.476 1.00 1.15 H new ATOM 0 HG22 ILE A 46 -4.820 -5.080 6.783 1.00 1.15 H new ATOM 0 HG23 ILE A 46 -6.104 -4.596 5.650 1.00 1.15 H new ATOM 0 HD11 ILE A 46 -5.549 -0.682 4.624 1.00 2.36 H new ATOM 0 HD12 ILE A 46 -4.222 -1.177 5.701 1.00 2.36 H new ATOM 0 HD13 ILE A 46 -4.922 -2.346 4.556 1.00 2.36 H new ATOM 731 N LYS A 47 -6.344 -5.854 8.706 1.00 1.16 N ATOM 732 CA LYS A 47 -5.816 -7.005 9.490 1.00 1.21 C ATOM 733 C LYS A 47 -4.968 -7.867 8.548 1.00 1.14 C ATOM 734 O LYS A 47 -5.085 -7.743 7.339 1.00 1.13 O ATOM 735 CB LYS A 47 -7.000 -7.832 10.028 1.00 1.44 C ATOM 736 CG LYS A 47 -7.975 -8.150 8.875 1.00 2.50 C ATOM 737 CD LYS A 47 -8.696 -9.484 9.133 1.00 4.14 C ATOM 738 CE LYS A 47 -9.730 -9.336 10.258 1.00 5.17 C ATOM 739 NZ LYS A 47 -10.844 -8.428 9.838 1.00 6.22 N ATOM 0 H LYS A 47 -6.938 -6.113 7.918 1.00 1.16 H new ATOM 0 HA LYS A 47 -5.212 -6.659 10.329 1.00 1.21 H new ATOM 0 HB2 LYS A 47 -6.637 -8.757 10.476 1.00 1.44 H new ATOM 0 HB3 LYS A 47 -7.516 -7.279 10.812 1.00 1.44 H new ATOM 0 HG2 LYS A 47 -8.706 -7.347 8.777 1.00 2.50 H new ATOM 0 HG3 LYS A 47 -7.429 -8.201 7.933 1.00 2.50 H new ATOM 0 HD2 LYS A 47 -9.190 -9.818 8.221 1.00 4.14 H new ATOM 0 HD3 LYS A 47 -7.968 -10.250 9.400 1.00 4.14 H new ATOM 0 HE2 LYS A 47 -10.132 -10.315 10.520 1.00 5.17 H new ATOM 0 HE3 LYS A 47 -9.248 -8.939 11.151 1.00 5.17 H new ATOM 0 HZ1 LYS A 47 -11.675 -8.597 10.440 1.00 6.22 H new ATOM 0 HZ2 LYS A 47 -10.541 -7.438 9.937 1.00 6.22 H new ATOM 0 HZ3 LYS A 47 -11.091 -8.617 8.846 1.00 6.22 H new ATOM 753 N PRO A 48 -4.164 -8.740 9.095 1.00 1.21 N ATOM 754 CA PRO A 48 -3.632 -9.858 8.300 1.00 1.20 C ATOM 755 C PRO A 48 -4.794 -10.669 7.708 1.00 1.42 C ATOM 756 O PRO A 48 -5.825 -10.854 8.343 1.00 1.92 O ATOM 757 CB PRO A 48 -2.782 -10.661 9.295 1.00 1.44 C ATOM 758 CG PRO A 48 -3.184 -10.171 10.704 1.00 1.33 C ATOM 759 CD PRO A 48 -3.741 -8.752 10.520 1.00 1.39 C ATOM 0 HA PRO A 48 -3.031 -9.548 7.445 1.00 1.20 H new ATOM 0 HB2 PRO A 48 -2.965 -11.730 9.188 1.00 1.44 H new ATOM 0 HB3 PRO A 48 -1.719 -10.500 9.116 1.00 1.44 H new ATOM 0 HG2 PRO A 48 -3.932 -10.829 11.146 1.00 1.33 H new ATOM 0 HG3 PRO A 48 -2.325 -10.168 11.375 1.00 1.33 H new ATOM 0 HD2 PRO A 48 -4.578 -8.557 11.191 1.00 1.39 H new ATOM 0 HD3 PRO A 48 -2.986 -7.993 10.723 1.00 1.39 H new ATOM 767 N HIS A 49 -4.602 -11.087 6.482 1.00 1.22 N ATOM 768 CA HIS A 49 -5.629 -11.894 5.754 1.00 1.56 C ATOM 769 C HIS A 49 -6.775 -10.983 5.282 1.00 1.61 C ATOM 770 O HIS A 49 -7.930 -11.182 5.617 1.00 2.04 O ATOM 771 CB HIS A 49 -6.149 -13.030 6.661 1.00 1.91 C ATOM 772 CG HIS A 49 -5.023 -13.857 7.305 1.00 1.83 C ATOM 773 ND1 HIS A 49 -5.286 -14.876 8.072 1.00 2.88 N ATOM 774 CD2 HIS A 49 -3.651 -13.753 7.261 1.00 2.38 C ATOM 775 CE1 HIS A 49 -4.157 -15.400 8.495 1.00 3.09 C ATOM 776 NE2 HIS A 49 -3.164 -14.709 7.997 1.00 2.84 N ATOM 0 H HIS A 49 -3.757 -10.898 5.943 1.00 1.22 H new ATOM 0 HA HIS A 49 -5.176 -12.349 4.873 1.00 1.56 H new ATOM 0 HB2 HIS A 49 -6.771 -12.602 7.447 1.00 1.91 H new ATOM 0 HB3 HIS A 49 -6.786 -13.691 6.074 1.00 1.91 H new ATOM 0 HD2 HIS A 49 -3.083 -13.014 6.716 1.00 2.38 H new ATOM 0 HE1 HIS A 49 -4.065 -16.258 9.145 1.00 3.09 H new ATOM 0 HE2 HIS A 49 -2.173 -14.890 8.159 1.00 2.84 H new ATOM 784 N SER A 50 -6.408 -9.964 4.536 1.00 1.31 N ATOM 785 CA SER A 50 -7.439 -9.023 3.997 1.00 1.43 C ATOM 786 C SER A 50 -6.891 -8.329 2.738 1.00 1.39 C ATOM 787 O SER A 50 -5.689 -8.325 2.503 1.00 1.92 O ATOM 788 CB SER A 50 -7.841 -8.000 5.080 1.00 1.54 C ATOM 789 OG SER A 50 -6.678 -7.235 5.369 1.00 2.05 O ATOM 0 H SER A 50 -5.445 -9.747 4.280 1.00 1.31 H new ATOM 0 HA SER A 50 -8.335 -9.577 3.719 1.00 1.43 H new ATOM 0 HB2 SER A 50 -8.648 -7.359 4.726 1.00 1.54 H new ATOM 0 HB3 SER A 50 -8.204 -8.506 5.975 1.00 1.54 H new ATOM 0 HG SER A 50 -6.328 -7.491 6.248 1.00 2.05 H new ATOM 795 N THR A 51 -7.764 -7.747 1.954 1.00 1.52 N ATOM 796 CA THR A 51 -7.294 -7.069 0.699 1.00 1.54 C ATOM 797 C THR A 51 -7.657 -5.583 0.714 1.00 1.54 C ATOM 798 O THR A 51 -8.719 -5.220 1.189 1.00 1.70 O ATOM 799 CB THR A 51 -7.990 -7.712 -0.519 1.00 1.81 C ATOM 800 OG1 THR A 51 -8.213 -9.069 -0.161 1.00 2.42 O ATOM 801 CG2 THR A 51 -7.074 -7.792 -1.750 1.00 1.55 C ATOM 0 H THR A 51 -8.769 -7.710 2.122 1.00 1.52 H new ATOM 0 HA THR A 51 -6.211 -7.181 0.638 1.00 1.54 H new ATOM 0 HB THR A 51 -8.876 -7.124 -0.758 1.00 1.81 H new ATOM 0 HG1 THR A 51 -8.658 -9.533 -0.900 1.00 2.42 H new ATOM 0 HG21 THR A 51 -7.615 -8.253 -2.577 1.00 1.55 H new ATOM 0 HG22 THR A 51 -6.760 -6.788 -2.036 1.00 1.55 H new ATOM 0 HG23 THR A 51 -6.196 -8.392 -1.512 1.00 1.55 H new ATOM 809 N VAL A 52 -6.755 -4.774 0.214 1.00 1.46 N ATOM 810 CA VAL A 52 -6.979 -3.314 0.114 1.00 1.44 C ATOM 811 C VAL A 52 -6.243 -2.834 -1.156 1.00 1.18 C ATOM 812 O VAL A 52 -5.407 -3.558 -1.673 1.00 1.48 O ATOM 813 CB VAL A 52 -6.441 -2.609 1.381 1.00 1.90 C ATOM 814 CG1 VAL A 52 -6.844 -3.390 2.646 1.00 3.43 C ATOM 815 CG2 VAL A 52 -4.911 -2.477 1.354 1.00 1.27 C ATOM 0 H VAL A 52 -5.849 -5.083 -0.137 1.00 1.46 H new ATOM 0 HA VAL A 52 -8.040 -3.075 0.044 1.00 1.44 H new ATOM 0 HB VAL A 52 -6.881 -1.612 1.399 1.00 1.90 H new ATOM 0 HG11 VAL A 52 -6.457 -2.879 3.528 1.00 3.43 H new ATOM 0 HG12 VAL A 52 -7.931 -3.447 2.708 1.00 3.43 H new ATOM 0 HG13 VAL A 52 -6.430 -4.397 2.599 1.00 3.43 H new ATOM 0 HG21 VAL A 52 -4.573 -1.977 2.261 1.00 1.27 H new ATOM 0 HG22 VAL A 52 -4.461 -3.468 1.297 1.00 1.27 H new ATOM 0 HG23 VAL A 52 -4.612 -1.892 0.484 1.00 1.27 H new ATOM 825 N ASP A 53 -6.584 -1.679 -1.664 1.00 0.89 N ATOM 826 CA ASP A 53 -5.892 -1.159 -2.891 1.00 1.14 C ATOM 827 C ASP A 53 -5.789 0.368 -2.845 1.00 1.02 C ATOM 828 O ASP A 53 -6.519 1.007 -2.100 1.00 1.09 O ATOM 829 CB ASP A 53 -6.659 -1.606 -4.147 1.00 1.49 C ATOM 830 CG ASP A 53 -8.151 -1.764 -3.846 1.00 1.68 C ATOM 831 OD1 ASP A 53 -8.452 -2.706 -3.136 1.00 2.66 O ATOM 832 OD2 ASP A 53 -8.921 -0.974 -4.356 1.00 2.62 O ATOM 0 H ASP A 53 -7.310 -1.070 -1.286 1.00 0.89 H new ATOM 0 HA ASP A 53 -4.882 -1.567 -2.926 1.00 1.14 H new ATOM 0 HB2 ASP A 53 -6.520 -0.875 -4.943 1.00 1.49 H new ATOM 0 HB3 ASP A 53 -6.254 -2.551 -4.508 1.00 1.49 H new ATOM 837 N PHE A 54 -4.887 0.921 -3.637 1.00 0.99 N ATOM 838 CA PHE A 54 -4.704 2.411 -3.645 1.00 1.02 C ATOM 839 C PHE A 54 -4.300 2.942 -5.029 1.00 1.09 C ATOM 840 O PHE A 54 -3.973 2.186 -5.934 1.00 1.60 O ATOM 841 CB PHE A 54 -3.607 2.788 -2.631 1.00 1.46 C ATOM 842 CG PHE A 54 -2.265 2.164 -3.053 1.00 0.93 C ATOM 843 CD1 PHE A 54 -1.927 0.875 -2.671 1.00 1.39 C ATOM 844 CD2 PHE A 54 -1.388 2.874 -3.854 1.00 1.39 C ATOM 845 CE1 PHE A 54 -0.733 0.315 -3.081 1.00 1.93 C ATOM 846 CE2 PHE A 54 -0.203 2.306 -4.268 1.00 2.00 C ATOM 847 CZ PHE A 54 0.126 1.029 -3.881 1.00 2.17 C ATOM 0 H PHE A 54 -4.277 0.406 -4.271 1.00 0.99 H new ATOM 0 HA PHE A 54 -5.660 2.862 -3.379 1.00 1.02 H new ATOM 0 HB2 PHE A 54 -3.511 3.872 -2.572 1.00 1.46 H new ATOM 0 HB3 PHE A 54 -3.884 2.438 -1.636 1.00 1.46 H new ATOM 0 HD1 PHE A 54 -2.601 0.305 -2.049 1.00 1.39 H new ATOM 0 HD2 PHE A 54 -1.634 3.881 -4.157 1.00 1.39 H new ATOM 0 HE1 PHE A 54 -0.474 -0.687 -2.772 1.00 1.93 H new ATOM 0 HE2 PHE A 54 0.470 2.867 -4.899 1.00 2.00 H new ATOM 0 HZ PHE A 54 1.057 0.588 -4.205 1.00 2.17 H new ATOM 857 N ARG A 55 -4.329 4.246 -5.162 1.00 1.17 N ATOM 858 CA ARG A 55 -3.933 4.886 -6.452 1.00 1.44 C ATOM 859 C ARG A 55 -2.865 5.961 -6.178 1.00 1.78 C ATOM 860 O ARG A 55 -2.998 6.742 -5.239 1.00 2.40 O ATOM 861 CB ARG A 55 -5.164 5.553 -7.081 1.00 1.87 C ATOM 862 CG ARG A 55 -4.902 5.812 -8.571 1.00 2.88 C ATOM 863 CD ARG A 55 -5.876 6.867 -9.101 1.00 3.59 C ATOM 864 NE ARG A 55 -5.367 8.212 -8.712 1.00 3.97 N ATOM 865 CZ ARG A 55 -6.192 9.132 -8.358 1.00 4.65 C ATOM 866 NH1 ARG A 55 -6.701 9.082 -7.167 1.00 5.01 N ATOM 867 NH2 ARG A 55 -6.456 10.049 -9.240 1.00 5.58 N ATOM 0 H ARG A 55 -4.611 4.896 -4.428 1.00 1.17 H new ATOM 0 HA ARG A 55 -3.533 4.131 -7.129 1.00 1.44 H new ATOM 0 HB2 ARG A 55 -6.038 4.913 -6.961 1.00 1.87 H new ATOM 0 HB3 ARG A 55 -5.383 6.491 -6.571 1.00 1.87 H new ATOM 0 HG2 ARG A 55 -3.875 6.149 -8.714 1.00 2.88 H new ATOM 0 HG3 ARG A 55 -5.015 4.886 -9.134 1.00 2.88 H new ATOM 0 HD2 ARG A 55 -5.963 6.793 -10.185 1.00 3.59 H new ATOM 0 HD3 ARG A 55 -6.872 6.705 -8.690 1.00 3.59 H new ATOM 0 HE ARG A 55 -4.365 8.403 -8.727 1.00 3.97 H new ATOM 0 HH11 ARG A 55 -6.445 8.324 -6.534 1.00 5.01 H new ATOM 0 HH12 ARG A 55 -7.358 9.800 -6.863 1.00 5.01 H new ATOM 0 HH21 ARG A 55 -6.015 10.014 -10.159 1.00 5.58 H new ATOM 0 HH22 ARG A 55 -7.104 10.803 -9.013 1.00 5.58 H new ATOM 881 N VAL A 56 -1.873 6.027 -7.031 1.00 2.21 N ATOM 882 CA VAL A 56 -0.793 7.040 -6.844 1.00 2.95 C ATOM 883 C VAL A 56 -0.925 8.039 -8.006 1.00 2.23 C ATOM 884 O VAL A 56 -1.194 7.649 -9.130 1.00 2.31 O ATOM 885 CB VAL A 56 0.589 6.357 -6.855 1.00 4.31 C ATOM 886 CG1 VAL A 56 1.573 7.198 -6.024 1.00 5.85 C ATOM 887 CG2 VAL A 56 0.508 4.945 -6.243 1.00 5.35 C ATOM 0 H VAL A 56 -1.766 5.424 -7.847 1.00 2.21 H new ATOM 0 HA VAL A 56 -0.887 7.550 -5.885 1.00 2.95 H new ATOM 0 HB VAL A 56 0.927 6.277 -7.888 1.00 4.31 H new ATOM 0 HG11 VAL A 56 2.553 6.720 -6.028 1.00 5.85 H new ATOM 0 HG12 VAL A 56 1.654 8.196 -6.456 1.00 5.85 H new ATOM 0 HG13 VAL A 56 1.210 7.275 -4.999 1.00 5.85 H new ATOM 0 HG21 VAL A 56 1.495 4.483 -6.262 1.00 5.35 H new ATOM 0 HG22 VAL A 56 0.159 5.015 -5.213 1.00 5.35 H new ATOM 0 HG23 VAL A 56 -0.188 4.337 -6.821 1.00 5.35 H new ATOM 897 N LYS A 57 -0.687 9.287 -7.701 1.00 2.33 N ATOM 898 CA LYS A 57 -0.849 10.385 -8.725 1.00 1.96 C ATOM 899 C LYS A 57 0.460 11.104 -9.106 1.00 2.64 C ATOM 900 O LYS A 57 0.799 12.119 -8.528 1.00 4.38 O ATOM 901 CB LYS A 57 -1.842 11.401 -8.134 1.00 2.40 C ATOM 902 CG LYS A 57 -1.363 11.839 -6.730 1.00 3.02 C ATOM 903 CD LYS A 57 -2.543 12.145 -5.800 1.00 3.56 C ATOM 904 CE LYS A 57 -3.367 10.877 -5.502 1.00 4.45 C ATOM 905 NZ LYS A 57 -2.585 9.841 -4.755 1.00 5.39 N ATOM 0 H LYS A 57 -0.384 9.605 -6.780 1.00 2.33 H new ATOM 0 HA LYS A 57 -1.203 9.931 -9.651 1.00 1.96 H new ATOM 0 HB2 LYS A 57 -1.923 12.269 -8.789 1.00 2.40 H new ATOM 0 HB3 LYS A 57 -2.836 10.958 -8.068 1.00 2.40 H new ATOM 0 HG2 LYS A 57 -0.749 11.052 -6.293 1.00 3.02 H new ATOM 0 HG3 LYS A 57 -0.731 12.723 -6.820 1.00 3.02 H new ATOM 0 HD2 LYS A 57 -2.172 12.568 -4.866 1.00 3.56 H new ATOM 0 HD3 LYS A 57 -3.184 12.898 -6.259 1.00 3.56 H new ATOM 0 HE2 LYS A 57 -4.248 11.150 -4.921 1.00 4.45 H new ATOM 0 HE3 LYS A 57 -3.723 10.451 -6.440 1.00 4.45 H new ATOM 0 HZ1 LYS A 57 -3.223 9.079 -4.448 1.00 5.39 H new ATOM 0 HZ2 LYS A 57 -1.849 9.448 -5.375 1.00 5.39 H new ATOM 0 HZ3 LYS A 57 -2.140 10.276 -3.922 1.00 5.39 H new ATOM 919 N ALA A 58 1.141 10.570 -10.093 1.00 1.82 N ATOM 920 CA ALA A 58 2.440 11.152 -10.598 1.00 2.39 C ATOM 921 C ALA A 58 3.282 11.862 -9.526 1.00 2.66 C ATOM 922 O ALA A 58 4.105 12.719 -9.807 1.00 3.45 O ATOM 923 CB ALA A 58 2.085 12.156 -11.661 1.00 2.87 C ATOM 0 H ALA A 58 0.845 9.729 -10.588 1.00 1.82 H new ATOM 0 HA ALA A 58 3.050 10.324 -10.960 1.00 2.39 H new ATOM 0 HB1 ALA A 58 2.996 12.604 -12.057 1.00 2.87 H new ATOM 0 HB2 ALA A 58 1.546 11.658 -12.467 1.00 2.87 H new ATOM 0 HB3 ALA A 58 1.455 12.934 -11.230 1.00 2.87 H new ATOM 929 N GLU A 59 3.082 11.426 -8.347 1.00 2.86 N ATOM 930 CA GLU A 59 3.802 11.973 -7.180 1.00 3.47 C ATOM 931 C GLU A 59 4.950 11.022 -6.867 1.00 2.83 C ATOM 932 O GLU A 59 4.922 10.312 -5.879 1.00 3.95 O ATOM 933 CB GLU A 59 2.819 12.066 -6.001 1.00 4.30 C ATOM 934 CG GLU A 59 2.061 10.726 -5.814 1.00 5.11 C ATOM 935 CD GLU A 59 1.350 10.703 -4.455 1.00 6.33 C ATOM 936 OE1 GLU A 59 1.991 11.149 -3.501 1.00 7.16 O ATOM 937 OE2 GLU A 59 0.218 10.219 -4.440 1.00 6.91 O ATOM 0 H GLU A 59 2.423 10.681 -8.122 1.00 2.86 H new ATOM 0 HA GLU A 59 4.200 12.969 -7.374 1.00 3.47 H new ATOM 0 HB2 GLU A 59 3.360 12.314 -5.088 1.00 4.30 H new ATOM 0 HB3 GLU A 59 2.106 12.871 -6.178 1.00 4.30 H new ATOM 0 HG2 GLU A 59 1.333 10.597 -6.615 1.00 5.11 H new ATOM 0 HG3 GLU A 59 2.760 9.892 -5.881 1.00 5.11 H new ATOM 944 N ASP A 60 5.930 11.005 -7.736 1.00 2.31 N ATOM 945 CA ASP A 60 7.078 10.087 -7.512 1.00 2.59 C ATOM 946 C ASP A 60 6.496 8.718 -7.130 1.00 2.09 C ATOM 947 O ASP A 60 6.695 8.191 -6.042 1.00 2.40 O ATOM 948 CB ASP A 60 7.973 10.687 -6.410 1.00 4.07 C ATOM 949 CG ASP A 60 8.969 9.650 -5.867 1.00 5.78 C ATOM 950 OD1 ASP A 60 9.404 8.825 -6.660 1.00 6.73 O ATOM 951 OD2 ASP A 60 9.262 9.760 -4.684 1.00 6.69 O ATOM 0 H ASP A 60 5.982 11.579 -8.577 1.00 2.31 H new ATOM 0 HA ASP A 60 7.700 9.961 -8.398 1.00 2.59 H new ATOM 0 HB2 ASP A 60 8.518 11.543 -6.808 1.00 4.07 H new ATOM 0 HB3 ASP A 60 7.350 11.057 -5.595 1.00 4.07 H new ATOM 956 N ILE A 61 5.676 8.235 -8.032 1.00 1.57 N ATOM 957 CA ILE A 61 5.043 6.910 -7.821 1.00 1.45 C ATOM 958 C ILE A 61 6.154 5.877 -7.713 1.00 1.18 C ATOM 959 O ILE A 61 6.020 4.893 -7.009 1.00 1.63 O ATOM 960 CB ILE A 61 4.103 6.607 -9.000 1.00 1.65 C ATOM 961 CG1 ILE A 61 3.032 7.717 -9.044 1.00 2.34 C ATOM 962 CG2 ILE A 61 3.453 5.226 -8.787 1.00 2.23 C ATOM 963 CD1 ILE A 61 1.959 7.398 -10.089 1.00 2.69 C ATOM 0 H ILE A 61 5.423 8.705 -8.901 1.00 1.57 H new ATOM 0 HA ILE A 61 4.448 6.892 -6.908 1.00 1.45 H new ATOM 0 HB ILE A 61 4.647 6.585 -9.944 1.00 1.65 H new ATOM 0 HG12 ILE A 61 2.570 7.822 -8.062 1.00 2.34 H new ATOM 0 HG13 ILE A 61 3.502 8.672 -9.279 1.00 2.34 H new ATOM 0 HG21 ILE A 61 2.785 5.006 -9.620 1.00 2.23 H new ATOM 0 HG22 ILE A 61 4.229 4.463 -8.733 1.00 2.23 H new ATOM 0 HG23 ILE A 61 2.884 5.231 -7.857 1.00 2.23 H new ATOM 0 HD11 ILE A 61 1.215 8.195 -10.102 1.00 2.69 H new ATOM 0 HD12 ILE A 61 2.422 7.318 -11.073 1.00 2.69 H new ATOM 0 HD13 ILE A 61 1.475 6.454 -9.838 1.00 2.69 H new ATOM 975 N LEU A 62 7.222 6.131 -8.430 1.00 1.14 N ATOM 976 CA LEU A 62 8.380 5.205 -8.382 1.00 1.05 C ATOM 977 C LEU A 62 8.585 4.793 -6.924 1.00 1.05 C ATOM 978 O LEU A 62 8.550 3.633 -6.612 1.00 1.33 O ATOM 979 CB LEU A 62 9.643 5.898 -8.929 1.00 1.38 C ATOM 980 CG LEU A 62 9.628 5.915 -10.480 1.00 1.97 C ATOM 981 CD1 LEU A 62 8.571 6.895 -11.003 1.00 2.98 C ATOM 982 CD2 LEU A 62 11.007 6.330 -11.014 1.00 2.79 C ATOM 0 H LEU A 62 7.335 6.939 -9.042 1.00 1.14 H new ATOM 0 HA LEU A 62 8.191 4.327 -9.000 1.00 1.05 H new ATOM 0 HB2 LEU A 62 9.698 6.918 -8.549 1.00 1.38 H new ATOM 0 HB3 LEU A 62 10.533 5.378 -8.574 1.00 1.38 H new ATOM 0 HG LEU A 62 9.384 4.911 -10.828 1.00 1.97 H new ATOM 0 HD11 LEU A 62 8.578 6.890 -12.093 1.00 2.98 H new ATOM 0 HD12 LEU A 62 7.587 6.593 -10.645 1.00 2.98 H new ATOM 0 HD13 LEU A 62 8.796 7.899 -10.643 1.00 2.98 H new ATOM 0 HD21 LEU A 62 10.987 6.339 -12.104 1.00 2.79 H new ATOM 0 HD22 LEU A 62 11.255 7.326 -10.647 1.00 2.79 H new ATOM 0 HD23 LEU A 62 11.759 5.620 -10.671 1.00 2.79 H new ATOM 994 N ALA A 63 8.700 5.772 -6.060 1.00 1.14 N ATOM 995 CA ALA A 63 8.896 5.477 -4.606 1.00 1.20 C ATOM 996 C ALA A 63 7.890 4.448 -4.070 1.00 1.08 C ATOM 997 O ALA A 63 8.263 3.571 -3.318 1.00 1.37 O ATOM 998 CB ALA A 63 8.757 6.779 -3.816 1.00 1.47 C ATOM 0 H ALA A 63 8.667 6.763 -6.299 1.00 1.14 H new ATOM 0 HA ALA A 63 9.891 5.048 -4.486 1.00 1.20 H new ATOM 0 HB1 ALA A 63 8.898 6.577 -2.754 1.00 1.47 H new ATOM 0 HB2 ALA A 63 9.510 7.491 -4.153 1.00 1.47 H new ATOM 0 HB3 ALA A 63 7.764 7.198 -3.977 1.00 1.47 H new ATOM 1004 N VAL A 64 6.642 4.563 -4.454 1.00 0.95 N ATOM 1005 CA VAL A 64 5.646 3.572 -3.944 1.00 0.90 C ATOM 1006 C VAL A 64 5.987 2.204 -4.530 1.00 0.77 C ATOM 1007 O VAL A 64 5.998 1.211 -3.821 1.00 0.84 O ATOM 1008 CB VAL A 64 4.220 3.967 -4.367 1.00 0.97 C ATOM 1009 CG1 VAL A 64 3.217 2.952 -3.799 1.00 1.10 C ATOM 1010 CG2 VAL A 64 3.875 5.354 -3.821 1.00 1.23 C ATOM 0 H VAL A 64 6.277 5.280 -5.081 1.00 0.95 H new ATOM 0 HA VAL A 64 5.686 3.546 -2.855 1.00 0.90 H new ATOM 0 HB VAL A 64 4.168 3.979 -5.456 1.00 0.97 H new ATOM 0 HG11 VAL A 64 2.207 3.232 -4.099 1.00 1.10 H new ATOM 0 HG12 VAL A 64 3.447 1.958 -4.184 1.00 1.10 H new ATOM 0 HG13 VAL A 64 3.284 2.944 -2.711 1.00 1.10 H new ATOM 0 HG21 VAL A 64 2.864 5.624 -4.126 1.00 1.23 H new ATOM 0 HG22 VAL A 64 3.935 5.342 -2.733 1.00 1.23 H new ATOM 0 HG23 VAL A 64 4.580 6.086 -4.215 1.00 1.23 H new ATOM 1020 N GLU A 65 6.273 2.198 -5.807 1.00 0.71 N ATOM 1021 CA GLU A 65 6.621 0.911 -6.482 1.00 0.72 C ATOM 1022 C GLU A 65 7.876 0.340 -5.803 1.00 0.74 C ATOM 1023 O GLU A 65 7.858 -0.750 -5.261 1.00 0.82 O ATOM 1024 CB GLU A 65 6.854 1.179 -7.987 1.00 0.83 C ATOM 1025 CG GLU A 65 5.654 1.984 -8.548 1.00 1.22 C ATOM 1026 CD GLU A 65 5.409 1.701 -10.046 1.00 1.44 C ATOM 1027 OE1 GLU A 65 5.394 0.528 -10.382 1.00 2.43 O ATOM 1028 OE2 GLU A 65 5.168 2.670 -10.762 1.00 2.46 O ATOM 0 H GLU A 65 6.281 3.022 -6.408 1.00 0.71 H new ATOM 0 HA GLU A 65 5.815 0.183 -6.394 1.00 0.72 H new ATOM 0 HB2 GLU A 65 7.781 1.735 -8.131 1.00 0.83 H new ATOM 0 HB3 GLU A 65 6.960 0.237 -8.525 1.00 0.83 H new ATOM 0 HG2 GLU A 65 4.756 1.736 -7.982 1.00 1.22 H new ATOM 0 HG3 GLU A 65 5.836 3.049 -8.407 1.00 1.22 H new ATOM 1035 N ASP A 66 8.922 1.125 -5.797 1.00 0.81 N ATOM 1036 CA ASP A 66 10.194 0.734 -5.163 1.00 0.92 C ATOM 1037 C ASP A 66 9.944 0.206 -3.744 1.00 0.90 C ATOM 1038 O ASP A 66 10.414 -0.851 -3.369 1.00 0.95 O ATOM 1039 CB ASP A 66 11.029 2.004 -5.124 1.00 1.02 C ATOM 1040 CG ASP A 66 12.014 2.022 -6.289 1.00 2.22 C ATOM 1041 OD1 ASP A 66 13.023 1.352 -6.133 1.00 3.17 O ATOM 1042 OD2 ASP A 66 11.698 2.698 -7.265 1.00 3.30 O ATOM 0 H ASP A 66 8.936 2.051 -6.224 1.00 0.81 H new ATOM 0 HA ASP A 66 10.696 -0.063 -5.711 1.00 0.92 H new ATOM 0 HB2 ASP A 66 10.379 2.877 -5.174 1.00 1.02 H new ATOM 0 HB3 ASP A 66 11.570 2.064 -4.180 1.00 1.02 H new ATOM 1047 N PHE A 67 9.212 0.985 -2.999 1.00 0.86 N ATOM 1048 CA PHE A 67 8.866 0.618 -1.590 1.00 0.86 C ATOM 1049 C PHE A 67 8.160 -0.730 -1.539 1.00 0.76 C ATOM 1050 O PHE A 67 8.332 -1.483 -0.611 1.00 0.85 O ATOM 1051 CB PHE A 67 7.922 1.686 -1.037 1.00 0.85 C ATOM 1052 CG PHE A 67 7.614 1.419 0.443 1.00 0.86 C ATOM 1053 CD1 PHE A 67 8.602 1.526 1.407 1.00 1.32 C ATOM 1054 CD2 PHE A 67 6.332 1.079 0.836 1.00 0.66 C ATOM 1055 CE1 PHE A 67 8.311 1.299 2.738 1.00 1.26 C ATOM 1056 CE2 PHE A 67 6.042 0.857 2.164 1.00 0.74 C ATOM 1057 CZ PHE A 67 7.030 0.964 3.115 1.00 0.84 C ATOM 0 H PHE A 67 8.830 1.878 -3.310 1.00 0.86 H new ATOM 0 HA PHE A 67 9.781 0.555 -1.002 1.00 0.86 H new ATOM 0 HB2 PHE A 67 8.374 2.672 -1.148 1.00 0.85 H new ATOM 0 HB3 PHE A 67 6.996 1.693 -1.611 1.00 0.85 H new ATOM 0 HD1 PHE A 67 9.608 1.789 1.116 1.00 1.32 H new ATOM 0 HD2 PHE A 67 5.552 0.987 0.095 1.00 0.66 H new ATOM 0 HE1 PHE A 67 9.088 1.384 3.483 1.00 1.26 H new ATOM 0 HE2 PHE A 67 5.036 0.598 2.459 1.00 0.74 H new ATOM 0 HZ PHE A 67 6.801 0.786 4.155 1.00 0.84 H new ATOM 1067 N LEU A 68 7.350 -0.977 -2.527 1.00 0.73 N ATOM 1068 CA LEU A 68 6.592 -2.270 -2.562 1.00 0.72 C ATOM 1069 C LEU A 68 7.362 -3.406 -3.240 1.00 0.93 C ATOM 1070 O LEU A 68 7.098 -4.557 -2.960 1.00 1.36 O ATOM 1071 CB LEU A 68 5.293 -2.074 -3.343 1.00 0.74 C ATOM 1072 CG LEU A 68 4.395 -1.051 -2.645 1.00 0.86 C ATOM 1073 CD1 LEU A 68 3.306 -0.596 -3.617 1.00 1.07 C ATOM 1074 CD2 LEU A 68 3.737 -1.702 -1.424 1.00 0.96 C ATOM 0 H LEU A 68 7.176 -0.348 -3.311 1.00 0.73 H new ATOM 0 HA LEU A 68 6.415 -2.548 -1.523 1.00 0.72 H new ATOM 0 HB2 LEU A 68 5.518 -1.738 -4.355 1.00 0.74 H new ATOM 0 HB3 LEU A 68 4.769 -3.025 -3.432 1.00 0.74 H new ATOM 0 HG LEU A 68 4.991 -0.195 -2.328 1.00 0.86 H new ATOM 0 HD11 LEU A 68 2.662 0.134 -3.126 1.00 1.07 H new ATOM 0 HD12 LEU A 68 3.768 -0.141 -4.493 1.00 1.07 H new ATOM 0 HD13 LEU A 68 2.711 -1.456 -3.925 1.00 1.07 H new ATOM 0 HD21 LEU A 68 3.097 -0.975 -0.925 1.00 0.96 H new ATOM 0 HD22 LEU A 68 3.137 -2.554 -1.745 1.00 0.96 H new ATOM 0 HD23 LEU A 68 4.508 -2.041 -0.733 1.00 0.96 H new ATOM 1086 N GLU A 69 8.289 -3.079 -4.092 1.00 0.89 N ATOM 1087 CA GLU A 69 9.042 -4.157 -4.798 1.00 1.20 C ATOM 1088 C GLU A 69 10.325 -4.502 -4.046 1.00 1.40 C ATOM 1089 O GLU A 69 10.639 -5.662 -3.869 1.00 1.64 O ATOM 1090 CB GLU A 69 9.399 -3.679 -6.209 1.00 1.46 C ATOM 1091 CG GLU A 69 9.498 -4.889 -7.153 1.00 1.97 C ATOM 1092 CD GLU A 69 8.159 -5.071 -7.872 1.00 3.25 C ATOM 1093 OE1 GLU A 69 7.894 -4.242 -8.716 1.00 3.66 O ATOM 1094 OE2 GLU A 69 7.444 -5.981 -7.498 1.00 4.59 O ATOM 0 H GLU A 69 8.558 -2.125 -4.331 1.00 0.89 H new ATOM 0 HA GLU A 69 8.415 -5.047 -4.847 1.00 1.20 H new ATOM 0 HB2 GLU A 69 8.642 -2.983 -6.571 1.00 1.46 H new ATOM 0 HB3 GLU A 69 10.346 -3.139 -6.193 1.00 1.46 H new ATOM 0 HG2 GLU A 69 10.297 -4.736 -7.878 1.00 1.97 H new ATOM 0 HG3 GLU A 69 9.747 -5.787 -6.589 1.00 1.97 H new ATOM 1101 N GLN A 70 11.048 -3.491 -3.634 1.00 1.39 N ATOM 1102 CA GLN A 70 12.317 -3.741 -2.884 1.00 1.72 C ATOM 1103 C GLN A 70 12.105 -4.758 -1.754 1.00 1.80 C ATOM 1104 O GLN A 70 13.036 -5.436 -1.376 1.00 1.97 O ATOM 1105 CB GLN A 70 12.863 -2.416 -2.327 1.00 1.84 C ATOM 1106 CG GLN A 70 13.571 -1.655 -3.465 1.00 2.52 C ATOM 1107 CD GLN A 70 14.331 -0.437 -2.919 1.00 2.67 C ATOM 1108 OE1 GLN A 70 14.887 -0.463 -1.838 1.00 2.88 O ATOM 1109 NE2 GLN A 70 14.411 0.637 -3.649 1.00 3.04 N ATOM 0 H GLN A 70 10.816 -2.509 -3.783 1.00 1.39 H new ATOM 0 HA GLN A 70 13.047 -4.164 -3.574 1.00 1.72 H new ATOM 0 HB2 GLN A 70 12.051 -1.815 -1.919 1.00 1.84 H new ATOM 0 HB3 GLN A 70 13.559 -2.608 -1.511 1.00 1.84 H new ATOM 0 HG2 GLN A 70 14.264 -2.322 -3.978 1.00 2.52 H new ATOM 0 HG3 GLN A 70 12.837 -1.330 -4.203 1.00 2.52 H new ATOM 0 HE21 GLN A 70 13.949 0.672 -4.558 1.00 3.04 H new ATOM 0 HE22 GLN A 70 14.936 1.444 -3.313 1.00 3.04 H new ATOM 1118 N ASN A 71 10.922 -4.799 -1.204 1.00 1.74 N ATOM 1119 CA ASN A 71 10.642 -5.783 -0.123 1.00 1.90 C ATOM 1120 C ASN A 71 9.458 -6.667 -0.527 1.00 1.69 C ATOM 1121 O ASN A 71 8.837 -7.265 0.325 1.00 1.77 O ATOM 1122 CB ASN A 71 10.264 -5.035 1.138 1.00 1.95 C ATOM 1123 CG ASN A 71 9.144 -4.073 0.801 1.00 2.33 C ATOM 1124 OD1 ASN A 71 8.262 -4.372 0.024 1.00 3.88 O ATOM 1125 ND2 ASN A 71 9.134 -2.920 1.350 1.00 1.90 N ATOM 0 H ASN A 71 10.140 -4.195 -1.456 1.00 1.74 H new ATOM 0 HA ASN A 71 11.527 -6.396 0.044 1.00 1.90 H new ATOM 0 HB2 ASN A 71 9.945 -5.733 1.913 1.00 1.95 H new ATOM 0 HB3 ASN A 71 11.125 -4.494 1.531 1.00 1.95 H new ATOM 0 HD21 ASN A 71 8.388 -2.259 1.134 1.00 1.90 H new ATOM 0 HD22 ASN A 71 9.872 -2.660 2.005 1.00 1.90 H new ATOM 1132 N GLU A 72 9.226 -6.776 -1.814 1.00 1.69 N ATOM 1133 CA GLU A 72 8.061 -7.565 -2.338 1.00 1.66 C ATOM 1134 C GLU A 72 6.925 -7.581 -1.304 1.00 1.31 C ATOM 1135 O GLU A 72 6.553 -8.612 -0.749 1.00 1.59 O ATOM 1136 CB GLU A 72 8.477 -8.998 -2.686 1.00 2.23 C ATOM 1137 CG GLU A 72 7.313 -9.689 -3.421 1.00 3.75 C ATOM 1138 CD GLU A 72 7.685 -11.134 -3.742 1.00 4.36 C ATOM 1139 OE1 GLU A 72 8.588 -11.288 -4.546 1.00 4.81 O ATOM 1140 OE2 GLU A 72 7.052 -12.001 -3.156 1.00 5.04 O ATOM 0 H GLU A 72 9.803 -6.345 -2.536 1.00 1.69 H new ATOM 0 HA GLU A 72 7.708 -7.083 -3.250 1.00 1.66 H new ATOM 0 HB2 GLU A 72 9.368 -8.990 -3.314 1.00 2.23 H new ATOM 0 HB3 GLU A 72 8.730 -9.548 -1.780 1.00 2.23 H new ATOM 0 HG2 GLU A 72 6.416 -9.664 -2.803 1.00 3.75 H new ATOM 0 HG3 GLU A 72 7.082 -9.151 -4.340 1.00 3.75 H new ATOM 1147 N LEU A 73 6.421 -6.410 -1.057 1.00 0.92 N ATOM 1148 CA LEU A 73 5.314 -6.256 -0.096 1.00 0.76 C ATOM 1149 C LEU A 73 4.046 -6.799 -0.749 1.00 1.01 C ATOM 1150 O LEU A 73 3.233 -6.053 -1.237 1.00 2.00 O ATOM 1151 CB LEU A 73 5.164 -4.767 0.229 1.00 0.77 C ATOM 1152 CG LEU A 73 4.501 -4.582 1.596 1.00 1.12 C ATOM 1153 CD1 LEU A 73 5.446 -5.051 2.718 1.00 1.96 C ATOM 1154 CD2 LEU A 73 4.183 -3.094 1.785 1.00 1.62 C ATOM 0 H LEU A 73 6.738 -5.542 -1.490 1.00 0.92 H new ATOM 0 HA LEU A 73 5.503 -6.802 0.828 1.00 0.76 H new ATOM 0 HB2 LEU A 73 6.143 -4.287 0.225 1.00 0.77 H new ATOM 0 HB3 LEU A 73 4.566 -4.279 -0.541 1.00 0.77 H new ATOM 0 HG LEU A 73 3.588 -5.175 1.641 1.00 1.12 H new ATOM 0 HD11 LEU A 73 4.960 -4.913 3.684 1.00 1.96 H new ATOM 0 HD12 LEU A 73 5.682 -6.106 2.578 1.00 1.96 H new ATOM 0 HD13 LEU A 73 6.365 -4.466 2.687 1.00 1.96 H new ATOM 0 HD21 LEU A 73 3.709 -2.944 2.755 1.00 1.62 H new ATOM 0 HD22 LEU A 73 5.106 -2.516 1.738 1.00 1.62 H new ATOM 0 HD23 LEU A 73 3.507 -2.763 0.996 1.00 1.62 H new ATOM 1166 N GLN A 74 4.013 -8.105 -0.812 1.00 0.87 N ATOM 1167 CA GLN A 74 2.879 -8.908 -1.391 1.00 1.10 C ATOM 1168 C GLN A 74 1.768 -8.057 -2.027 1.00 1.19 C ATOM 1169 O GLN A 74 0.633 -8.049 -1.579 1.00 1.51 O ATOM 1170 CB GLN A 74 2.317 -9.762 -0.246 1.00 1.32 C ATOM 1171 CG GLN A 74 3.460 -10.577 0.394 1.00 1.74 C ATOM 1172 CD GLN A 74 4.055 -11.540 -0.640 1.00 2.52 C ATOM 1173 OE1 GLN A 74 3.451 -12.531 -0.984 1.00 3.33 O ATOM 1174 NE2 GLN A 74 5.209 -11.271 -1.184 1.00 3.60 N ATOM 0 H GLN A 74 4.775 -8.687 -0.464 1.00 0.87 H new ATOM 0 HA GLN A 74 3.263 -9.515 -2.211 1.00 1.10 H new ATOM 0 HB2 GLN A 74 1.848 -9.123 0.502 1.00 1.32 H new ATOM 0 HB3 GLN A 74 1.544 -10.432 -0.623 1.00 1.32 H new ATOM 0 HG2 GLN A 74 4.234 -9.905 0.766 1.00 1.74 H new ATOM 0 HG3 GLN A 74 3.084 -11.136 1.251 1.00 1.74 H new ATOM 0 HE21 GLN A 74 5.725 -10.438 -0.900 1.00 3.60 H new ATOM 0 HE22 GLN A 74 5.596 -11.893 -1.893 1.00 3.60 H new ATOM 1183 N TYR A 75 2.127 -7.377 -3.079 1.00 1.15 N ATOM 1184 CA TYR A 75 1.154 -6.504 -3.790 1.00 1.24 C ATOM 1185 C TYR A 75 1.208 -6.773 -5.292 1.00 1.08 C ATOM 1186 O TYR A 75 2.082 -7.477 -5.773 1.00 1.10 O ATOM 1187 CB TYR A 75 1.531 -5.041 -3.530 1.00 1.64 C ATOM 1188 CG TYR A 75 2.730 -4.659 -4.410 1.00 1.59 C ATOM 1189 CD1 TYR A 75 3.969 -5.263 -4.252 1.00 1.30 C ATOM 1190 CD2 TYR A 75 2.567 -3.733 -5.417 1.00 2.15 C ATOM 1191 CE1 TYR A 75 5.012 -4.943 -5.094 1.00 1.46 C ATOM 1192 CE2 TYR A 75 3.612 -3.411 -6.248 1.00 2.41 C ATOM 1193 CZ TYR A 75 4.838 -4.010 -6.093 1.00 2.04 C ATOM 1194 OH TYR A 75 5.873 -3.646 -6.915 1.00 2.50 O ATOM 0 H TYR A 75 3.064 -7.389 -3.481 1.00 1.15 H new ATOM 0 HA TYR A 75 0.147 -6.710 -3.428 1.00 1.24 H new ATOM 0 HB2 TYR A 75 0.684 -4.391 -3.749 1.00 1.64 H new ATOM 0 HB3 TYR A 75 1.778 -4.899 -2.478 1.00 1.64 H new ATOM 0 HD1 TYR A 75 4.117 -5.988 -3.465 1.00 1.30 H new ATOM 0 HD2 TYR A 75 1.608 -3.256 -5.554 1.00 2.15 H new ATOM 0 HE1 TYR A 75 5.970 -5.426 -4.970 1.00 1.46 H new ATOM 0 HE2 TYR A 75 3.468 -2.680 -7.030 1.00 2.41 H new ATOM 0 HH TYR A 75 5.560 -2.977 -7.559 1.00 2.50 H new ATOM 1204 N GLU A 76 0.275 -6.187 -5.994 1.00 1.12 N ATOM 1205 CA GLU A 76 0.223 -6.354 -7.467 1.00 1.37 C ATOM 1206 C GLU A 76 -0.347 -5.080 -8.108 1.00 1.49 C ATOM 1207 O GLU A 76 -0.721 -4.153 -7.409 1.00 1.69 O ATOM 1208 CB GLU A 76 -0.648 -7.588 -7.806 1.00 1.49 C ATOM 1209 CG GLU A 76 -2.149 -7.380 -7.495 1.00 1.97 C ATOM 1210 CD GLU A 76 -2.445 -7.323 -5.995 1.00 2.96 C ATOM 1211 OE1 GLU A 76 -2.260 -6.268 -5.441 1.00 4.29 O ATOM 1212 OE2 GLU A 76 -2.900 -8.323 -5.487 1.00 3.30 O ATOM 0 H GLU A 76 -0.458 -5.595 -5.602 1.00 1.12 H new ATOM 0 HA GLU A 76 1.225 -6.516 -7.865 1.00 1.37 H new ATOM 0 HB2 GLU A 76 -0.533 -7.826 -8.863 1.00 1.49 H new ATOM 0 HB3 GLU A 76 -0.283 -8.448 -7.244 1.00 1.49 H new ATOM 0 HG2 GLU A 76 -2.487 -6.455 -7.962 1.00 1.97 H new ATOM 0 HG3 GLU A 76 -2.723 -8.191 -7.943 1.00 1.97 H new ATOM 1219 N VAL A 77 -0.388 -5.057 -9.408 1.00 1.56 N ATOM 1220 CA VAL A 77 -0.953 -3.868 -10.114 1.00 1.81 C ATOM 1221 C VAL A 77 -2.383 -4.247 -10.484 1.00 2.28 C ATOM 1222 O VAL A 77 -2.746 -5.389 -10.300 1.00 2.97 O ATOM 1223 CB VAL A 77 -0.119 -3.601 -11.381 1.00 1.74 C ATOM 1224 CG1 VAL A 77 -0.664 -2.391 -12.161 1.00 2.09 C ATOM 1225 CG2 VAL A 77 1.332 -3.321 -10.972 1.00 1.98 C ATOM 0 H VAL A 77 -0.056 -5.807 -10.015 1.00 1.56 H new ATOM 0 HA VAL A 77 -0.934 -2.967 -9.501 1.00 1.81 H new ATOM 0 HB VAL A 77 -0.175 -4.479 -12.024 1.00 1.74 H new ATOM 0 HG11 VAL A 77 -0.055 -2.227 -13.050 1.00 2.09 H new ATOM 0 HG12 VAL A 77 -1.695 -2.584 -12.458 1.00 2.09 H new ATOM 0 HG13 VAL A 77 -0.628 -1.504 -11.528 1.00 2.09 H new ATOM 0 HG21 VAL A 77 1.931 -3.131 -11.863 1.00 1.98 H new ATOM 0 HG22 VAL A 77 1.364 -2.448 -10.320 1.00 1.98 H new ATOM 0 HG23 VAL A 77 1.734 -4.185 -10.442 1.00 1.98 H new ATOM 1235 N LEU A 78 -3.208 -3.311 -10.887 1.00 2.76 N ATOM 1236 CA LEU A 78 -4.568 -3.706 -11.271 1.00 3.20 C ATOM 1237 C LEU A 78 -4.628 -4.710 -12.418 1.00 2.86 C ATOM 1238 O LEU A 78 -4.874 -4.376 -13.560 1.00 3.15 O ATOM 1239 CB LEU A 78 -5.398 -2.469 -11.628 1.00 3.69 C ATOM 1240 CG LEU A 78 -6.581 -2.527 -10.683 1.00 3.87 C ATOM 1241 CD1 LEU A 78 -7.487 -1.319 -10.829 1.00 4.54 C ATOM 1242 CD2 LEU A 78 -7.436 -3.760 -11.011 1.00 4.09 C ATOM 0 H LEU A 78 -2.992 -2.317 -10.961 1.00 2.76 H new ATOM 0 HA LEU A 78 -4.985 -4.211 -10.399 1.00 3.20 H new ATOM 0 HB2 LEU A 78 -4.824 -1.552 -11.492 1.00 3.69 H new ATOM 0 HB3 LEU A 78 -5.719 -2.492 -12.669 1.00 3.69 H new ATOM 0 HG LEU A 78 -6.177 -2.561 -9.671 1.00 3.87 H new ATOM 0 HD11 LEU A 78 -8.321 -1.403 -10.132 1.00 4.54 H new ATOM 0 HD12 LEU A 78 -6.923 -0.412 -10.611 1.00 4.54 H new ATOM 0 HD13 LEU A 78 -7.869 -1.272 -11.849 1.00 4.54 H new ATOM 0 HD21 LEU A 78 -8.288 -3.803 -10.332 1.00 4.09 H new ATOM 0 HD22 LEU A 78 -7.794 -3.692 -12.038 1.00 4.09 H new ATOM 0 HD23 LEU A 78 -6.834 -4.661 -10.896 1.00 4.09 H new ATOM 1254 N ILE A 79 -4.365 -5.926 -12.068 1.00 3.41 N ATOM 1255 CA ILE A 79 -4.448 -7.050 -13.053 1.00 4.27 C ATOM 1256 C ILE A 79 -5.730 -7.810 -12.702 1.00 5.82 C ATOM 1257 O ILE A 79 -6.156 -8.747 -13.350 1.00 6.73 O ATOM 1258 CB ILE A 79 -3.236 -7.999 -12.921 1.00 5.55 C ATOM 1259 CG1 ILE A 79 -1.933 -7.187 -12.824 1.00 5.70 C ATOM 1260 CG2 ILE A 79 -3.178 -8.915 -14.158 1.00 6.31 C ATOM 1261 CD1 ILE A 79 -0.729 -8.130 -12.659 1.00 7.51 C ATOM 0 H ILE A 79 -4.090 -6.205 -11.126 1.00 3.41 H new ATOM 0 HA ILE A 79 -4.451 -6.672 -14.075 1.00 4.27 H new ATOM 0 HB ILE A 79 -3.346 -8.598 -12.017 1.00 5.55 H new ATOM 0 HG12 ILE A 79 -1.808 -6.579 -13.720 1.00 5.70 H new ATOM 0 HG13 ILE A 79 -1.986 -6.501 -11.978 1.00 5.70 H new ATOM 0 HG21 ILE A 79 -2.325 -9.588 -14.073 1.00 6.31 H new ATOM 0 HG22 ILE A 79 -4.096 -9.499 -14.222 1.00 6.31 H new ATOM 0 HG23 ILE A 79 -3.072 -8.307 -15.056 1.00 6.31 H new ATOM 0 HD11 ILE A 79 0.187 -7.543 -12.592 1.00 7.51 H new ATOM 0 HD12 ILE A 79 -0.850 -8.719 -11.750 1.00 7.51 H new ATOM 0 HD13 ILE A 79 -0.669 -8.798 -13.519 1.00 7.51 H new ATOM 1273 N ASN A 80 -6.292 -7.297 -11.664 1.00 6.62 N ATOM 1274 CA ASN A 80 -7.548 -7.782 -11.037 1.00 8.60 C ATOM 1275 C ASN A 80 -7.773 -6.817 -9.861 1.00 9.72 C ATOM 1276 O ASN A 80 -6.803 -6.333 -9.292 1.00 10.30 O ATOM 1277 CB ASN A 80 -7.378 -9.222 -10.522 1.00 9.35 C ATOM 1278 CG ASN A 80 -8.732 -9.943 -10.589 1.00 10.87 C ATOM 1279 OD1 ASN A 80 -9.769 -9.321 -10.557 1.00 11.47 O ATOM 1280 ND2 ASN A 80 -8.777 -11.244 -10.686 1.00 11.88 N ATOM 0 H ASN A 80 -5.899 -6.490 -11.180 1.00 6.62 H new ATOM 0 HA ASN A 80 -8.384 -7.801 -11.736 1.00 8.60 H new ATOM 0 HB2 ASN A 80 -6.640 -9.752 -11.124 1.00 9.35 H new ATOM 0 HB3 ASN A 80 -7.007 -9.213 -9.497 1.00 9.35 H new ATOM 0 HD21 ASN A 80 -9.677 -11.721 -10.734 1.00 11.88 H new ATOM 0 HD22 ASN A 80 -7.912 -11.784 -10.714 1.00 11.88 H new ATOM 1287 N ASN A 81 -8.998 -6.561 -9.499 1.00 10.42 N ATOM 1288 CA ASN A 81 -9.236 -5.589 -8.376 1.00 11.83 C ATOM 1289 C ASN A 81 -9.645 -6.309 -7.089 1.00 12.99 C ATOM 1290 O ASN A 81 -9.631 -5.651 -6.062 1.00 13.86 O ATOM 1291 CB ASN A 81 -10.341 -4.607 -8.785 1.00 12.40 C ATOM 1292 CG ASN A 81 -10.384 -3.438 -7.790 1.00 13.46 C ATOM 1293 OD1 ASN A 81 -11.292 -3.312 -6.998 1.00 14.57 O ATOM 1294 ND2 ASN A 81 -9.424 -2.558 -7.782 1.00 13.45 N ATOM 1295 OXT ASN A 81 -9.962 -7.514 -7.189 1.00 13.27 O ATOM 0 H ASN A 81 -9.835 -6.969 -9.917 1.00 10.42 H new ATOM 0 HA ASN A 81 -8.306 -5.055 -8.183 1.00 11.83 H new ATOM 0 HB2 ASN A 81 -10.156 -4.234 -9.792 1.00 12.40 H new ATOM 0 HB3 ASN A 81 -11.305 -5.116 -8.806 1.00 12.40 H new ATOM 0 HD21 ASN A 81 -9.447 -1.784 -7.118 1.00 13.45 H new ATOM 0 HD22 ASN A 81 -8.649 -2.643 -8.439 1.00 13.45 H new TER 1302 ASN A 81